N-propyl-6-(3,3,5-trimethylcyclohexyl)oxyhexan-2-amine

C18H37NO — CID 63475619

IUPACN-propyl-6-(3,3,5-trimethylcyclohexyl)oxyhexan-2-amine
SMILESCCCNC(C)CCCCOC1CC(C)CC(C)(C)C1
InChIInChI=1S/C18H37NO/c1-6-10-19-16(3)9-7-8-11-20-17-12-15(2)13-18(4,5)14-17/h15-17,19H,6-14H2,1-5H3
InChIKeyATOMPKGSBWMGRL-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.78
Rot. Bonds9

About N-propyl-6-(3,3,5-trimethylcyclohexyl)oxyhexan-2-amine

N-propyl-6-(3,3,5-trimethylcyclohexyl)oxyhexan-2-amine (PubChem CID 63475619) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-propyl-6-(3,3,5-trimethylcyclohexyl)oxyhexan-2-amine.

Molecular Properties

Compound NameN-propyl-6-(3,3,5-trimethylcyclohexyl)oxyhexan-2-amine
PubChem CID63475619
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-propyl-6-(3,3,5-trimethylcyclohexyl)oxyhexan-2-amine
SMILESCCCNC(C)CCCCOC1CC(C)CC(C)(C)C1
InChIInChI=1S/C18H37NO/c1-6-10-19-16(3)9-7-8-11-20-17-12-15(2)13-18(4,5)14-17/h15-17,19H,6-14H2,1-5H3
InChIKeyATOMPKGSBWMGRL-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propyl-6-(3,3,5-trimethylcyclohexyl)oxyhexan-2-amine?
The IUPAC name of N-propyl-6-(3,3,5-trimethylcyclohexyl)oxyhexan-2-amine (CID 63475619) is N-propyl-6-(3,3,5-trimethylcyclohexyl)oxyhexan-2-amine.
What is the SMILES notation for N-propyl-6-(3,3,5-trimethylcyclohexyl)oxyhexan-2-amine?
The canonical SMILES for N-propyl-6-(3,3,5-trimethylcyclohexyl)oxyhexan-2-amine is CCCNC(C)CCCCOC1CC(C)CC(C)(C)C1.
What is the InChIKey of N-propyl-6-(3,3,5-trimethylcyclohexyl)oxyhexan-2-amine?
The InChIKey is ATOMPKGSBWMGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-6-10-19-16(3)9-7-8-11-20-17-12-15(2)13-18(4,5)14-17/h15-17,19H,6-14H2,1-5H3.
What are the key properties of N-propyl-6-(3,3,5-trimethylcyclohexyl)oxyhexan-2-amine?
N-propyl-6-(3,3,5-trimethylcyclohexyl)oxyhexan-2-amine has a molecular weight of 283.50 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-(3,3,5-trimethylcyclohexyl)oxyhexan-2-amine is sourced from PubChem (CID 63475619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).