1-cyclohexyl-4-methyl-N-propan-2-ylpentan-1-amine;N-(1-cyclohexyl-2-propan-2-yloxyethyl)propan-2-amine

C29H60N2O — CID 158100965

IUPAC1-cyclohexyl-4-methyl-N-propan-2-ylpentan-1-amine;N-(1-cyclohexyl-2-propan-2-yloxyethyl)propan-2-amine
SMILESCC(C)CCC(NC(C)C)C1CCCCC1.CC(C)NC(COC(C)C)C1CCCCC1
InChIInChI=1S/C15H31N.C14H29NO/c1-12(2)10-11-15(16-13(3)4)14-8-6-5-7-9-14;1-11(2)15-14(10-16-12(3)4)13-8-6-5-7-9-13/h12-16H,5-11H2,1-4H3;11-15H,5-10H2,1-4H3
InChIKeyFPGCQIHVJLOZTL-UHFFFAOYSA-N
MW452.81 g/mol
LogP7.73
Rot. Bonds12

About 1-cyclohexyl-4-methyl-N-propan-2-ylpentan-1-amine;N-(1-cyclohexyl-2-propan-2-yloxyethyl)propan-2-amine

1-cyclohexyl-4-methyl-N-propan-2-ylpentan-1-amine;N-(1-cyclohexyl-2-propan-2-yloxyethyl)propan-2-amine (PubChem CID 158100965) has the molecular formula C29H60N2O and a molecular weight of 452.81 g/mol. Its IUPAC name is 1-cyclohexyl-4-methyl-N-propan-2-ylpentan-1-amine;N-(1-cyclohexyl-2-propan-2-yloxyethyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-4-methyl-N-propan-2-ylpentan-1-amine;N-(1-cyclohexyl-2-propan-2-yloxyethyl)propan-2-amine
PubChem CID158100965
Molecular FormulaC29H60N2O
Molecular Weight452.81 g/mol
Exact Mass452.47
IUPAC Name1-cyclohexyl-4-methyl-N-propan-2-ylpentan-1-amine;N-(1-cyclohexyl-2-propan-2-yloxyethyl)propan-2-amine
SMILESCC(C)CCC(NC(C)C)C1CCCCC1.CC(C)NC(COC(C)C)C1CCCCC1
InChIInChI=1S/C15H31N.C14H29NO/c1-12(2)10-11-15(16-13(3)4)14-8-6-5-7-9-14;1-11(2)15-14(10-16-12(3)4)13-8-6-5-7-9-13/h12-16H,5-11H2,1-4H3;11-15H,5-10H2,1-4H3
InChIKeyFPGCQIHVJLOZTL-UHFFFAOYSA-N
XLogP7.73
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.81
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclohexyl-2-methoxyethyl)propan-2-amine
CID 83686426
(1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine
CID 59085001
N-(1-cyclopentyl-2-propan-2-yloxyethyl)propan-1-amine
CID 79574942
1-cyclopentyl-N-ethyl-2-propan-2-yloxyethanamine
CID 79574827
(1-cyclohexyl-4-methylpentyl)cyclohexane
CID 21259623
(1-cyclopropyl-2-propan-2-yloxyethyl)hydrazine
CID 105202587
1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 62407006
(1-cycloheptyl-3-methylbutyl)hydrazine
CID 105198928
N-[(1S)-1-cyclopentylethyl]-1-cyclopropyl-2-methoxyethanamine
CID 81386494
1-cyclobutyl-N,3-dimethylbutan-1-amine
CID 64986919
2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine
CID 104749178
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methyl-N-propan-2-ylpentan-1-amine;N-(1-cyclohexyl-2-propan-2-yloxyethyl)propan-2-amine?
The IUPAC name of 1-cyclohexyl-4-methyl-N-propan-2-ylpentan-1-amine;N-(1-cyclohexyl-2-propan-2-yloxyethyl)propan-2-amine (CID 158100965) is 1-cyclohexyl-4-methyl-N-propan-2-ylpentan-1-amine;N-(1-cyclohexyl-2-propan-2-yloxyethyl)propan-2-amine.
What is the SMILES notation for 1-cyclohexyl-4-methyl-N-propan-2-ylpentan-1-amine;N-(1-cyclohexyl-2-propan-2-yloxyethyl)propan-2-amine?
The canonical SMILES for 1-cyclohexyl-4-methyl-N-propan-2-ylpentan-1-amine;N-(1-cyclohexyl-2-propan-2-yloxyethyl)propan-2-amine is CC(C)CCC(NC(C)C)C1CCCCC1.CC(C)NC(COC(C)C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-methyl-N-propan-2-ylpentan-1-amine;N-(1-cyclohexyl-2-propan-2-yloxyethyl)propan-2-amine?
The InChIKey is FPGCQIHVJLOZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N.C14H29NO/c1-12(2)10-11-15(16-13(3)4)14-8-6-5-7-9-14;1-11(2)15-14(10-16-12(3)4)13-8-6-5-7-9-13/h12-16H,5-11H2,1-4H3;11-15H,5-10H2,1-4H3.
What are the key properties of 1-cyclohexyl-4-methyl-N-propan-2-ylpentan-1-amine;N-(1-cyclohexyl-2-propan-2-yloxyethyl)propan-2-amine?
1-cyclohexyl-4-methyl-N-propan-2-ylpentan-1-amine;N-(1-cyclohexyl-2-propan-2-yloxyethyl)propan-2-amine has a molecular weight of 452.81 g/mol, XLogP of 7.73, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methyl-N-propan-2-ylpentan-1-amine;N-(1-cyclohexyl-2-propan-2-yloxyethyl)propan-2-amine is sourced from PubChem (CID 158100965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).