N,N'-bis[3-[cyclopropyl(methyl)amino]propyl]butane-1,4-diamine

C18H38N4 — CID 18175279

IUPACN,N'-bis[3-[cyclopropyl(methyl)amino]propyl]butane-1,4-diamine
SMILESCN(CCCNCCCCNCCCN(C)C1CC1)C1CC1
InChIInChI=1S/C18H38N4/c1-21(17-7-8-17)15-5-13-19-11-3-4-12-20-14-6-16-22(2)18-9-10-18/h17-20H,3-16H2,1-2H3
InChIKeyUXNNCJSUAAWYAV-UHFFFAOYSA-N
MW310.53 g/mol
LogP1.91
Rot. Bonds15

About N,N'-bis[3-[cyclopropyl(methyl)amino]propyl]butane-1,4-diamine

N,N'-bis[3-[cyclopropyl(methyl)amino]propyl]butane-1,4-diamine (PubChem CID 18175279) has the molecular formula C18H38N4 and a molecular weight of 310.53 g/mol. Its IUPAC name is N,N'-bis[3-[cyclopropyl(methyl)amino]propyl]butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-bis[3-[cyclopropyl(methyl)amino]propyl]butane-1,4-diamine
PubChem CID18175279
Molecular FormulaC18H38N4
Molecular Weight310.53 g/mol
Exact Mass310.31
IUPAC NameN,N'-bis[3-[cyclopropyl(methyl)amino]propyl]butane-1,4-diamine
SMILESCN(CCCNCCCCNCCCN(C)C1CC1)C1CC1
InChIInChI=1S/C18H38N4/c1-21(17-7-8-17)15-5-13-19-11-3-4-12-20-14-6-16-22(2)18-9-10-18/h17-20H,3-16H2,1-2H3
InChIKeyUXNNCJSUAAWYAV-UHFFFAOYSA-N
XLogP1.91
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 51.91
H-Bond Donors ≤ 52
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'-[[(1S,2R)-2-[4-(ethylamino)butylamino]cyclopropyl]methyl]butane-1,4-diamine
CID 45266925
N,N'-bis[3-(propan-2-ylamino)propyl]butane-1,4-diamine
CID 10334212
3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine
CID 9857103
N,N'-bis[3-(aziridin-1-yl)butyl]butane-1,4-diamine
CID 9971040
N,N'-bis[3-(2-methylaziridin-1-yl)propyl]butane-1,4-diamine
CID 10016647
N,N'-bis[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine
CID 12088849
N'-(cyclopropylmethyl)-N-[3-[4-(cyclopropylmethylamino)butylamino]propyl]butane-1,4-diamine
CID 12088851
1-N-[4-[3-(diethylamino)butylamino]butyl]-3-N,3-N-diethylbutane-1,3-diamine
CID 17927709
N,N'-bis[3-(diethylamino)butyl]pentane-1,5-diamine
CID 17927724
2-N-[4-[4-[di(propan-2-yl)amino]pentan-2-ylamino]butyl]-4-N,4-N-di(propan-2-yl)pentane-2,4-diamine
CID 17927732
2-N-[5-[4-[di(propan-2-yl)amino]pentan-2-ylamino]pentyl]-4-N,4-N-di(propan-2-yl)pentane-2,4-diamine
CID 17927764
N,N'-bis[4-[cyclopropyl(methyl)amino]butyl]nonane-1,9-diamine
CID 18175273

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-[cyclopropyl(methyl)amino]propyl]butane-1,4-diamine?
The IUPAC name of N,N'-bis[3-[cyclopropyl(methyl)amino]propyl]butane-1,4-diamine (CID 18175279) is N,N'-bis[3-[cyclopropyl(methyl)amino]propyl]butane-1,4-diamine.
What is the SMILES notation for N,N'-bis[3-[cyclopropyl(methyl)amino]propyl]butane-1,4-diamine?
The canonical SMILES for N,N'-bis[3-[cyclopropyl(methyl)amino]propyl]butane-1,4-diamine is CN(CCCNCCCCNCCCN(C)C1CC1)C1CC1.
What is the InChIKey of N,N'-bis[3-[cyclopropyl(methyl)amino]propyl]butane-1,4-diamine?
The InChIKey is UXNNCJSUAAWYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4/c1-21(17-7-8-17)15-5-13-19-11-3-4-12-20-14-6-16-22(2)18-9-10-18/h17-20H,3-16H2,1-2H3.
What are the key properties of N,N'-bis[3-[cyclopropyl(methyl)amino]propyl]butane-1,4-diamine?
N,N'-bis[3-[cyclopropyl(methyl)amino]propyl]butane-1,4-diamine has a molecular weight of 310.53 g/mol, XLogP of 1.91, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-[cyclopropyl(methyl)amino]propyl]butane-1,4-diamine is sourced from PubChem (CID 18175279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).