N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine

C15H34N4 — CID 23590154

IUPACN'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine
SMILESCCNCCCCNCC1CC1CNCCCCN
InChIInChI=1S/C15H34N4/c1-2-17-8-5-6-10-19-13-15-11-14(15)12-18-9-4-3-7-16/h14-15,17-19H,2-13,16H2,1H3
InChIKeySPXXVMNIPCUNSN-UHFFFAOYSA-N
MW270.46 g/mol
LogP0.93
Rot. Bonds14

About N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine

N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine (PubChem CID 23590154) has the molecular formula C15H34N4 and a molecular weight of 270.46 g/mol. Its IUPAC name is N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine
PubChem CID23590154
Molecular FormulaC15H34N4
Molecular Weight270.46 g/mol
Exact Mass270.28
IUPAC NameN'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine
SMILESCCNCCCCNCC1CC1CNCCCCN
InChIInChI=1S/C15H34N4/c1-2-17-8-5-6-10-19-13-15-11-14(15)12-18-9-4-3-7-16/h14-15,17-19H,2-13,16H2,1H3
InChIKeySPXXVMNIPCUNSN-UHFFFAOYSA-N
XLogP0.93
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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'-[[2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine
CID 70658060
N'-[[(1S,2R)-2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine
CID 70805739
N-ethyl-N'-[[2-[(heptylamino)methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 71166362
N'-[[(1S,2S)-2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]-N-methylbutane-1,4-diamine
CID 71064547
N'-[[2-[[4-(decylamino)butylamino]methyl]cyclopropyl]methyl]-N-ethylbutane-1,4-diamine
CID 69170913
N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide
CID 162339984
4-[4-(ethylamino)butoxy]butan-1-amine
CID 163399899
N-methyl-N'-[[(2S)-2-[[4-(pentylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 145475457
N-ethyl-N'-[[2-[[3-(ethylamino)propyl-methylamino]methyl]cyclopropyl]methyl]propane-1,3-diamine;hydron;trichloride
CID 161290644
N'-ethylethane-1,2-diamine;hydrochloride
CID 19427140
N'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine
CID 18175301

Frequently Asked Questions

What is the IUPAC name of N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine?
The IUPAC name of N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine (CID 23590154) is N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine.
What is the SMILES notation for N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine?
The canonical SMILES for N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine is CCNCCCCNCC1CC1CNCCCCN.
What is the InChIKey of N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine?
The InChIKey is SPXXVMNIPCUNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4/c1-2-17-8-5-6-10-19-13-15-11-14(15)12-18-9-4-3-7-16/h14-15,17-19H,2-13,16H2,1H3.
What are the key properties of N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine?
N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine has a molecular weight of 270.46 g/mol, XLogP of 0.93, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine is sourced from PubChem (CID 23590154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).