N-cyclohexyl-2-(2,2,4,4-tetramethylpentan-3-ylidene)cyclohexan-1-amine

C21H39N — CID 67907207

IUPACN-cyclohexyl-2-(2,2,4,4-tetramethylpentan-3-ylidene)cyclohexan-1-amine
SMILESCC(C)(C)C(=C1CCCCC1NC1CCCCC1)C(C)(C)C
InChIInChI=1S/C21H39N/c1-20(2,3)19(21(4,5)6)17-14-10-11-15-18(17)22-16-12-8-7-9-13-16/h16,18,22H,7-15H2,1-6H3
InChIKeyICEUYNJRAKLPRT-UHFFFAOYSA-N
MW305.55 g/mol
LogP6.24
Rot. Bonds2

About N-cyclohexyl-2-(2,2,4,4-tetramethylpentan-3-ylidene)cyclohexan-1-amine

N-cyclohexyl-2-(2,2,4,4-tetramethylpentan-3-ylidene)cyclohexan-1-amine (PubChem CID 67907207) has the molecular formula C21H39N and a molecular weight of 305.55 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,2,4,4-tetramethylpentan-3-ylidene)cyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-(2,2,4,4-tetramethylpentan-3-ylidene)cyclohexan-1-amine
PubChem CID67907207
Molecular FormulaC21H39N
Molecular Weight305.55 g/mol
Exact Mass305.31
IUPAC NameN-cyclohexyl-2-(2,2,4,4-tetramethylpentan-3-ylidene)cyclohexan-1-amine
SMILESCC(C)(C)C(=C1CCCCC1NC1CCCCC1)C(C)(C)C
InChIInChI=1S/C21H39N/c1-20(2,3)19(21(4,5)6)17-14-10-11-15-18(17)22-16-12-8-7-9-13-16/h16,18,22H,7-15H2,1-6H3
InChIKeyICEUYNJRAKLPRT-UHFFFAOYSA-N
XLogP6.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.55
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2,2,4,4-tetramethylpentan-3-ylidene)cyclohexan-1-amine?
The IUPAC name of N-cyclohexyl-2-(2,2,4,4-tetramethylpentan-3-ylidene)cyclohexan-1-amine (CID 67907207) is N-cyclohexyl-2-(2,2,4,4-tetramethylpentan-3-ylidene)cyclohexan-1-amine.
What is the SMILES notation for N-cyclohexyl-2-(2,2,4,4-tetramethylpentan-3-ylidene)cyclohexan-1-amine?
The canonical SMILES for N-cyclohexyl-2-(2,2,4,4-tetramethylpentan-3-ylidene)cyclohexan-1-amine is CC(C)(C)C(=C1CCCCC1NC1CCCCC1)C(C)(C)C.
What is the InChIKey of N-cyclohexyl-2-(2,2,4,4-tetramethylpentan-3-ylidene)cyclohexan-1-amine?
The InChIKey is ICEUYNJRAKLPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N/c1-20(2,3)19(21(4,5)6)17-14-10-11-15-18(17)22-16-12-8-7-9-13-16/h16,18,22H,7-15H2,1-6H3.
What are the key properties of N-cyclohexyl-2-(2,2,4,4-tetramethylpentan-3-ylidene)cyclohexan-1-amine?
N-cyclohexyl-2-(2,2,4,4-tetramethylpentan-3-ylidene)cyclohexan-1-amine has a molecular weight of 305.55 g/mol, XLogP of 6.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2,2,4,4-tetramethylpentan-3-ylidene)cyclohexan-1-amine is sourced from PubChem (CID 67907207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).