1-N-cyclopropyl-1-N-(cyclopropylmethyl)-2-methylheptane-1,6-diamine

C15H30N2 — CID 65296045

IUPAC1-N-cyclopropyl-1-N-(cyclopropylmethyl)-2-methylheptane-1,6-diamine
SMILESCC(N)CCCC(C)CN(CC1CC1)C1CC1
InChIInChI=1S/C15H30N2/c1-12(4-3-5-13(2)16)10-17(15-8-9-15)11-14-6-7-14/h12-15H,3-11,16H2,1-2H3
InChIKeyFQJIIXBPDUNVNH-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.01
Rot. Bonds9

About 1-N-cyclopropyl-1-N-(cyclopropylmethyl)-2-methylheptane-1,6-diamine

1-N-cyclopropyl-1-N-(cyclopropylmethyl)-2-methylheptane-1,6-diamine (PubChem CID 65296045) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-N-cyclopropyl-1-N-(cyclopropylmethyl)-2-methylheptane-1,6-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-1-N-(cyclopropylmethyl)-2-methylheptane-1,6-diamine
PubChem CID65296045
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-N-cyclopropyl-1-N-(cyclopropylmethyl)-2-methylheptane-1,6-diamine
SMILESCC(N)CCCC(C)CN(CC1CC1)C1CC1
InChIInChI=1S/C15H30N2/c1-12(4-3-5-13(2)16)10-17(15-8-9-15)11-14-6-7-14/h12-15H,3-11,16H2,1-2H3
InChIKeyFQJIIXBPDUNVNH-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylpropyl)-N-(cyclopropylmethyl)cyclopropanamine
CID 64522017
1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine
CID 65296493
N-cyclopropyl-N-(cyclopropylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine
CID 64520179
3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide
CID 64521353
N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine
CID 64521866
4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide
CID 64521837
6-amino-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylheptanamide
CID 65291353
(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 93424361
1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 60984207
1-N,2-dimethyl-1-N-(2-methylbutyl)heptane-1,6-diamine
CID 65296431
3-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclohexan-1-amine
CID 64522365
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 82684072

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-N-(cyclopropylmethyl)-2-methylheptane-1,6-diamine?
The IUPAC name of 1-N-cyclopropyl-1-N-(cyclopropylmethyl)-2-methylheptane-1,6-diamine (CID 65296045) is 1-N-cyclopropyl-1-N-(cyclopropylmethyl)-2-methylheptane-1,6-diamine.
What is the SMILES notation for 1-N-cyclopropyl-1-N-(cyclopropylmethyl)-2-methylheptane-1,6-diamine?
The canonical SMILES for 1-N-cyclopropyl-1-N-(cyclopropylmethyl)-2-methylheptane-1,6-diamine is CC(N)CCCC(C)CN(CC1CC1)C1CC1.
What is the InChIKey of 1-N-cyclopropyl-1-N-(cyclopropylmethyl)-2-methylheptane-1,6-diamine?
The InChIKey is FQJIIXBPDUNVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12(4-3-5-13(2)16)10-17(15-8-9-15)11-14-6-7-14/h12-15H,3-11,16H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-1-N-(cyclopropylmethyl)-2-methylheptane-1,6-diamine?
1-N-cyclopropyl-1-N-(cyclopropylmethyl)-2-methylheptane-1,6-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-1-N-(cyclopropylmethyl)-2-methylheptane-1,6-diamine is sourced from PubChem (CID 65296045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).