N-ethyl-N'-[[2-[[3-(ethylamino)propyl-methylamino]methyl]cyclopropyl]methyl]propane-1,3-diamine;hydron;trichloride

C16H39Cl3N4 — CID 161290644

IUPACN-ethyl-N'-[[2-[[3-(ethylamino)propyl-methylamino]methyl]cyclopropyl]methyl]propane-1,3-diamine;hydron;trichloride
SMILESCCNCCCNCC1CC1CN(C)CCCNCC.[Cl-].[Cl-].[Cl-].[H+].[H+].[H+]
InChIInChI=1S/C16H36N4.3ClH/c1-4-17-8-6-9-19-13-15-12-16(15)14-20(3)11-7-10-18-5-2;;;/h15-19H,4-14H2,1-3H3;3*1H
InChIKeyPRKWDWKLDQVXNV-UHFFFAOYSA-N
MW393.88 g/mol
LogP-7.51
Rot. Bonds14

About N-ethyl-N'-[[2-[[3-(ethylamino)propyl-methylamino]methyl]cyclopropyl]methyl]propane-1,3-diamine;hydron;trichloride

N-ethyl-N'-[[2-[[3-(ethylamino)propyl-methylamino]methyl]cyclopropyl]methyl]propane-1,3-diamine;hydron;trichloride (PubChem CID 161290644) has the molecular formula C16H39Cl3N4 and a molecular weight of 393.88 g/mol. Its IUPAC name is N-ethyl-N'-[[2-[[3-(ethylamino)propyl-methylamino]methyl]cyclopropyl]methyl]propane-1,3-diamine;hydron;trichloride.

Molecular Properties

Compound NameN-ethyl-N'-[[2-[[3-(ethylamino)propyl-methylamino]methyl]cyclopropyl]methyl]propane-1,3-diamine;hydron;trichloride
PubChem CID161290644
Molecular FormulaC16H39Cl3N4
Molecular Weight393.88 g/mol
Exact Mass392.22
IUPAC NameN-ethyl-N'-[[2-[[3-(ethylamino)propyl-methylamino]methyl]cyclopropyl]methyl]propane-1,3-diamine;hydron;trichloride
SMILESCCNCCCNCC1CC1CN(C)CCCNCC.[Cl-].[Cl-].[Cl-].[H+].[H+].[H+]
InChIInChI=1S/C16H36N4.3ClH/c1-4-17-8-6-9-19-13-15-12-16(15)14-20(3)11-7-10-18-5-2;;;/h15-19H,4-14H2,1-3H3;3*1H
InChIKeyPRKWDWKLDQVXNV-UHFFFAOYSA-N
XLogP-7.51
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 5-7.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-N'-[[2-[[3-(ethylamino)propyl-methylamino]methyl]cyclopropyl]methyl]propane-1,3-diamine;hydron;trichloride with MolForge

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Related Compounds

N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63865857
N-ethyl-N'-[[(1R,2R)-2-[[4-[4-[[(1R,2R)-2-[[4-[4-[[(1R,2R)-2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methylamino]butylamino]butylamino]methyl]cyclopropyl]methylamino]butylamino]butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 11073198
N-ethyl-N'-[[2-[(heptylamino)methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 71166362
N'-[[2-[[4-(decylamino)butylamino]methyl]cyclopropyl]methyl]-N-ethylbutane-1,4-diamine
CID 69170913
N'-[[(1S,2S)-2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]-N-methylbutane-1,4-diamine
CID 71064547
N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine
CID 61386866
N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 23590154
N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine
CID 61386627
N-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
CID 79314716
N-methyl-N'-[[(2S)-2-[[4-(pentylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 145475457
N,N'-diethyl-N'-methylbutane-1,4-diamine
CID 62418557
N-ethyl-N'-methyl-N'-[(2-phenylcyclopropyl)methyl]ethane-1,2-diamine
CID 113409027

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[2-[[3-(ethylamino)propyl-methylamino]methyl]cyclopropyl]methyl]propane-1,3-diamine;hydron;trichloride?
The IUPAC name of N-ethyl-N'-[[2-[[3-(ethylamino)propyl-methylamino]methyl]cyclopropyl]methyl]propane-1,3-diamine;hydron;trichloride (CID 161290644) is N-ethyl-N'-[[2-[[3-(ethylamino)propyl-methylamino]methyl]cyclopropyl]methyl]propane-1,3-diamine;hydron;trichloride.
What is the SMILES notation for N-ethyl-N'-[[2-[[3-(ethylamino)propyl-methylamino]methyl]cyclopropyl]methyl]propane-1,3-diamine;hydron;trichloride?
The canonical SMILES for N-ethyl-N'-[[2-[[3-(ethylamino)propyl-methylamino]methyl]cyclopropyl]methyl]propane-1,3-diamine;hydron;trichloride is CCNCCCNCC1CC1CN(C)CCCNCC.[Cl-].[Cl-].[Cl-].[H+].[H+].[H+].
What is the InChIKey of N-ethyl-N'-[[2-[[3-(ethylamino)propyl-methylamino]methyl]cyclopropyl]methyl]propane-1,3-diamine;hydron;trichloride?
The InChIKey is PRKWDWKLDQVXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4.3ClH/c1-4-17-8-6-9-19-13-15-12-16(15)14-20(3)11-7-10-18-5-2;;;/h15-19H,4-14H2,1-3H3;3*1H.
What are the key properties of N-ethyl-N'-[[2-[[3-(ethylamino)propyl-methylamino]methyl]cyclopropyl]methyl]propane-1,3-diamine;hydron;trichloride?
N-ethyl-N'-[[2-[[3-(ethylamino)propyl-methylamino]methyl]cyclopropyl]methyl]propane-1,3-diamine;hydron;trichloride has a molecular weight of 393.88 g/mol, XLogP of -7.51, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[2-[[3-(ethylamino)propyl-methylamino]methyl]cyclopropyl]methyl]propane-1,3-diamine;hydron;trichloride is sourced from PubChem (CID 161290644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).