2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine

C16H33NO — CID 62455277

IUPAC2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine
SMILESCC(C)CNCCCOC1CC(C)CC(C)(C)C1
InChIInChI=1S/C16H33NO/c1-13(2)12-17-7-6-8-18-15-9-14(3)10-16(4,5)11-15/h13-15,17H,6-12H2,1-5H3
InChIKeyHGIHRTHJBBGVQN-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.85
Rot. Bonds7

About 2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine

2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine (PubChem CID 62455277) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine
PubChem CID62455277
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine
SMILESCC(C)CNCCCOC1CC(C)CC(C)(C)C1
InChIInChI=1S/C16H33NO/c1-13(2)12-17-7-6-8-18-15-9-14(3)10-16(4,5)11-15/h13-15,17H,6-12H2,1-5H3
InChIKeyHGIHRTHJBBGVQN-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.85
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 2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine (CID 62455277) is 2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine is CC(C)CNCCCOC1CC(C)CC(C)(C)C1.
What is the InChIKey of 2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine?
The InChIKey is HGIHRTHJBBGVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-13(2)12-17-7-6-8-18-15-9-14(3)10-16(4,5)11-15/h13-15,17H,6-12H2,1-5H3.
What are the key properties of 2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine?
2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine is sourced from PubChem (CID 62455277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).