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

C17H39ClN4 — CID 45263467

IUPACN-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine;hydrochloride
SMILESCCNCCCCNCC1CC1CNCCCCNCC.Cl
InChIInChI=1S/C17H38N4.ClH/c1-3-18-9-5-7-11-20-14-16-13-17(16)15-21-12-8-6-10-19-4-2;/h16-21H,3-15H2,1-2H3;1H
InChIKeyBWUVRDFWHCNLFQ-UHFFFAOYSA-N
MW334.98 g/mol
LogP2.00
Rot. Bonds16

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

N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine;hydrochloride (PubChem CID 45263467) has the molecular formula C17H39ClN4 and a molecular weight of 334.98 g/mol. Its IUPAC name is N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine;hydrochloride
PubChem CID45263467
Molecular FormulaC17H39ClN4
Molecular Weight334.98 g/mol
Exact Mass334.29
IUPAC NameN-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine;hydrochloride
SMILESCCNCCCCNCC1CC1CNCCCCNCC.Cl
InChIInChI=1S/C17H38N4.ClH/c1-3-18-9-5-7-11-20-14-16-13-17(16)15-21-12-8-6-10-19-4-2;/h16-21H,3-15H2,1-2H3;1H
InChIKeyBWUVRDFWHCNLFQ-UHFFFAOYSA-N
XLogP2.00
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.98
LogP ≤ 52.00
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine;hydrochloride?
The IUPAC name of N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine;hydrochloride (CID 45263467) is N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine;hydrochloride.
What is the SMILES notation for N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine;hydrochloride?
The canonical SMILES for N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine;hydrochloride is CCNCCCCNCC1CC1CNCCCCNCC.Cl.
What is the InChIKey of N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine;hydrochloride?
The InChIKey is BWUVRDFWHCNLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N4.ClH/c1-3-18-9-5-7-11-20-14-16-13-17(16)15-21-12-8-6-10-19-4-2;/h16-21H,3-15H2,1-2H3;1H.
What are the key properties of N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine;hydrochloride?
N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine;hydrochloride has a molecular weight of 334.98 g/mol, XLogP of 2.00, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine;hydrochloride is sourced from PubChem (CID 45263467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).