2-cyclohexyl-1-N,1-N'-di(propan-2-yl)undecane-1,1-diamine

C23H48N2 — CID 151929616

IUPAC2-cyclohexyl-1-N,1-N'-di(propan-2-yl)undecane-1,1-diamine
SMILESCCCCCCCCCC(C1CCCCC1)C(NC(C)C)NC(C)C
InChIInChI=1S/C23H48N2/c1-6-7-8-9-10-11-15-18-22(21-16-13-12-14-17-21)23(24-19(2)3)25-20(4)5/h19-25H,6-18H2,1-5H3
InChIKeySYMVXSBHZLIVIZ-UHFFFAOYSA-N
MW352.65 g/mol
LogP6.65
Rot. Bonds14

About 2-cyclohexyl-1-N,1-N'-di(propan-2-yl)undecane-1,1-diamine

2-cyclohexyl-1-N,1-N'-di(propan-2-yl)undecane-1,1-diamine (PubChem CID 151929616) has the molecular formula C23H48N2 and a molecular weight of 352.65 g/mol. Its IUPAC name is 2-cyclohexyl-1-N,1-N'-di(propan-2-yl)undecane-1,1-diamine.

Molecular Properties

Compound Name2-cyclohexyl-1-N,1-N'-di(propan-2-yl)undecane-1,1-diamine
PubChem CID151929616
Molecular FormulaC23H48N2
Molecular Weight352.65 g/mol
Exact Mass352.38
IUPAC Name2-cyclohexyl-1-N,1-N'-di(propan-2-yl)undecane-1,1-diamine
SMILESCCCCCCCCCC(C1CCCCC1)C(NC(C)C)NC(C)C
InChIInChI=1S/C23H48N2/c1-6-7-8-9-10-11-15-18-22(21-16-13-12-14-17-21)23(24-19(2)3)25-20(4)5/h19-25H,6-18H2,1-5H3
InChIKeySYMVXSBHZLIVIZ-UHFFFAOYSA-N
XLogP6.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 123273196
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CID 16404
1-cycloheptyldecylcycloheptane
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hexadecan-8-ylcyclohexane
CID 91510029
undecan-5-ylcyclohexane
CID 524419
4,5-dimethyldecan-3-ylcyclopentane
CID 167499527
N-nonan-2-ylcyclohexanamine
CID 43129679
N-octan-2-ylcyclohexanamine
CID 13244945
1-cyclooctylundecan-1-ol
CID 80603651
1-cycloheptylheptan-1-amine
CID 65399314
1-cyclooctyl-N-ethylheptan-1-amine
CID 80603132

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-N,1-N'-di(propan-2-yl)undecane-1,1-diamine?
The IUPAC name of 2-cyclohexyl-1-N,1-N'-di(propan-2-yl)undecane-1,1-diamine (CID 151929616) is 2-cyclohexyl-1-N,1-N'-di(propan-2-yl)undecane-1,1-diamine.
What is the SMILES notation for 2-cyclohexyl-1-N,1-N'-di(propan-2-yl)undecane-1,1-diamine?
The canonical SMILES for 2-cyclohexyl-1-N,1-N'-di(propan-2-yl)undecane-1,1-diamine is CCCCCCCCCC(C1CCCCC1)C(NC(C)C)NC(C)C.
What is the InChIKey of 2-cyclohexyl-1-N,1-N'-di(propan-2-yl)undecane-1,1-diamine?
The InChIKey is SYMVXSBHZLIVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2/c1-6-7-8-9-10-11-15-18-22(21-16-13-12-14-17-21)23(24-19(2)3)25-20(4)5/h19-25H,6-18H2,1-5H3.
What are the key properties of 2-cyclohexyl-1-N,1-N'-di(propan-2-yl)undecane-1,1-diamine?
2-cyclohexyl-1-N,1-N'-di(propan-2-yl)undecane-1,1-diamine has a molecular weight of 352.65 g/mol, XLogP of 6.65, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-N,1-N'-di(propan-2-yl)undecane-1,1-diamine is sourced from PubChem (CID 151929616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).