1-N-cyclododecylbutane-1,2-diamine

C16H34N2 — CID 83958083

IUPAC1-N-cyclododecylbutane-1,2-diamine
SMILESCCC(N)CNC1CCCCCCCCCCC1
InChIInChI=1S/C16H34N2/c1-2-15(17)14-18-16-12-10-8-6-4-3-5-7-9-11-13-16/h15-16,18H,2-14,17H2,1H3
InChIKeyOGKWUNRZEDMGLC-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.99
Rot. Bonds4

About 1-N-cyclododecylbutane-1,2-diamine

1-N-cyclododecylbutane-1,2-diamine (PubChem CID 83958083) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-N-cyclododecylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclododecylbutane-1,2-diamine
PubChem CID83958083
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-N-cyclododecylbutane-1,2-diamine
SMILESCCC(N)CNC1CCCCCCCCCCC1
InChIInChI=1S/C16H34N2/c1-2-15(17)14-18-16-12-10-8-6-4-3-5-7-9-11-13-16/h15-16,18H,2-14,17H2,1H3
InChIKeyOGKWUNRZEDMGLC-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-N-cyclobutylbutane-1,2-diamine
CID 94424015
1-N-cycloheptyl-3-methylpentane-1,2-diamine
CID 61150855
1-N-cyclohexyl-3-methoxypropane-1,2-diamine
CID 81101146
N-(2-methylbutyl)cyclopentanamine
CID 43200714
1-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine
CID 114547491
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
1-N-cyclohexyl-3-phenylpropane-1,2-diamine
CID 61149481
1-(cyclooctylamino)propan-2-ol
CID 20539535
1-(cycloheptylamino)propan-2-ol
CID 43392225
N-ethylcyclodecanamine
CID 148546213
N-ethylcyclooctanamine
CID 13112621
N-ethylcyclohexanamine;hydroxylamine
CID 142330095

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclododecylbutane-1,2-diamine?
The IUPAC name of 1-N-cyclododecylbutane-1,2-diamine (CID 83958083) is 1-N-cyclododecylbutane-1,2-diamine.
What is the SMILES notation for 1-N-cyclododecylbutane-1,2-diamine?
The canonical SMILES for 1-N-cyclododecylbutane-1,2-diamine is CCC(N)CNC1CCCCCCCCCCC1.
What is the InChIKey of 1-N-cyclododecylbutane-1,2-diamine?
The InChIKey is OGKWUNRZEDMGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-2-15(17)14-18-16-12-10-8-6-4-3-5-7-9-11-13-16/h15-16,18H,2-14,17H2,1H3.
What are the key properties of 1-N-cyclododecylbutane-1,2-diamine?
1-N-cyclododecylbutane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclododecylbutane-1,2-diamine is sourced from PubChem (CID 83958083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).