N'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine

C13H28N2 — CID 81079900

IUPACN'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine
SMILESCCCN(CCC(CC)CN)CC1CC1
InChIInChI=1S/C13H28N2/c1-3-8-15(11-13-5-6-13)9-7-12(4-2)10-14/h12-13H,3-11,14H2,1-2H3
InChIKeyLCGBQQNAZFUWIT-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds9

About N'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine

N'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine (PubChem CID 81079900) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine
PubChem CID81079900
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine
SMILESCCCN(CCC(CC)CN)CC1CC1
InChIInChI=1S/C13H28N2/c1-3-8-15(11-13-5-6-13)9-7-12(4-2)10-14/h12-13H,3-11,14H2,1-2H3
InChIKeyLCGBQQNAZFUWIT-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine
CID 21355618
N'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine
CID 81080581
N'-(cyclopropylmethyl)-N'-ethyl-2-propylpropane-1,3-diamine
CID 65233033
N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine
CID 61445615
N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
N-(cyclopropylmethyl)-N-propylpentan-1-amine
CID 89142496
N'-butyl-N',2-diethylbutane-1,4-diamine
CID 81079998
ethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate
CID 55143357
N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 81079200
2-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]butane-1,4-diamine
CID 81079802
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylpentane-1,5-diamine
CID 65254511
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine
CID 106707901

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine (CID 81079900) is N'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine is CCCN(CCC(CC)CN)CC1CC1.
What is the InChIKey of N'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine?
The InChIKey is LCGBQQNAZFUWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-8-15(11-13-5-6-13)9-7-12(4-2)10-14/h12-13H,3-11,14H2,1-2H3.
What are the key properties of N'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine?
N'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine is sourced from PubChem (CID 81079900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).