6,6-di(cyclododecyl)hexan-1-amine

C30H59N — CID 139722642

IUPAC6,6-di(cyclododecyl)hexan-1-amine
SMILESNCCCCCC(C1CCCCCCCCCCC1)C1CCCCCCCCCCC1
InChIInChI=1S/C30H59N/c31-27-21-15-20-26-30(28-22-16-11-7-3-1-4-8-12-17-23-28)29-24-18-13-9-5-2-6-10-14-19-25-29/h28-30H,1-27,31H2
InChIKeyZBGHVGAUVJRWKK-UHFFFAOYSA-N
MW433.81 g/mol
LogP9.96
Rot. Bonds7

About 6,6-di(cyclododecyl)hexan-1-amine

6,6-di(cyclododecyl)hexan-1-amine (PubChem CID 139722642) has the molecular formula C30H59N and a molecular weight of 433.81 g/mol. Its IUPAC name is 6,6-di(cyclododecyl)hexan-1-amine.

Molecular Properties

Compound Name6,6-di(cyclododecyl)hexan-1-amine
PubChem CID139722642
Molecular FormulaC30H59N
Molecular Weight433.81 g/mol
Exact Mass433.46
IUPAC Name6,6-di(cyclododecyl)hexan-1-amine
SMILESNCCCCCC(C1CCCCCCCCCCC1)C1CCCCCCCCCCC1
InChIInChI=1S/C30H59N/c31-27-21-15-20-26-30(28-22-16-11-7-3-1-4-8-12-17-23-28)29-24-18-13-9-5-2-6-10-14-19-25-29/h28-30H,1-27,31H2
InChIKeyZBGHVGAUVJRWKK-UHFFFAOYSA-N
XLogP9.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.81
LogP ≤ 59.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexylheptylcyclohexane
CID 16404
1-cycloheptyldecylcycloheptane
CID 20559033
1-cyclopropylpentylcycloheptane
CID 91177068
1-cyclohexyldecylcyclohexane;isocyanic acid
CID 172810256
(5-butoxy-1-cyclooctylpentyl)cyclooctane
CID 57036242
8-amino-4-cycloheptyl-1-hydroxyoctan-3-one
CID 170197479
(1-cyclohexyl-4-methylpentyl)cyclohexane
CID 21259623
6-cyclohexylhexan-1-amine
CID 19875455
1-cyclopropyloctylcyclopropane
CID 141276542
(4-amino-1-cyclohexylbutyl)phosphonic acid
CID 150102027
(1-cyclohexyl-2-fluoroethyl)cyclohexane
CID 162165643
N-cyclohexylcyclohexanamine;hexan-1-amine
CID 158809778

Frequently Asked Questions

What is the IUPAC name of 6,6-di(cyclododecyl)hexan-1-amine?
The IUPAC name of 6,6-di(cyclododecyl)hexan-1-amine (CID 139722642) is 6,6-di(cyclododecyl)hexan-1-amine.
What is the SMILES notation for 6,6-di(cyclododecyl)hexan-1-amine?
The canonical SMILES for 6,6-di(cyclododecyl)hexan-1-amine is NCCCCCC(C1CCCCCCCCCCC1)C1CCCCCCCCCCC1.
What is the InChIKey of 6,6-di(cyclododecyl)hexan-1-amine?
The InChIKey is ZBGHVGAUVJRWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59N/c31-27-21-15-20-26-30(28-22-16-11-7-3-1-4-8-12-17-23-28)29-24-18-13-9-5-2-6-10-14-19-25-29/h28-30H,1-27,31H2.
What are the key properties of 6,6-di(cyclododecyl)hexan-1-amine?
6,6-di(cyclododecyl)hexan-1-amine has a molecular weight of 433.81 g/mol, XLogP of 9.96, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-di(cyclododecyl)hexan-1-amine is sourced from PubChem (CID 139722642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).