N-[3-(cyclopropylmethoxy)propyl]-3,3,5-trimethylcyclohexan-1-amine

C16H31NO — CID 43081894

IUPACN-[3-(cyclopropylmethoxy)propyl]-3,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(NCCCOCC2CC2)CC(C)(C)C1
InChIInChI=1S/C16H31NO/c1-13-9-15(11-16(2,3)10-13)17-7-4-8-18-12-14-5-6-14/h13-15,17H,4-12H2,1-3H3
InChIKeyFLIDLYUVSDWILQ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.61
Rot. Bonds7

About N-[3-(cyclopropylmethoxy)propyl]-3,3,5-trimethylcyclohexan-1-amine

N-[3-(cyclopropylmethoxy)propyl]-3,3,5-trimethylcyclohexan-1-amine (PubChem CID 43081894) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-3,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-3,3,5-trimethylcyclohexan-1-amine
PubChem CID43081894
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-3,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(NCCCOCC2CC2)CC(C)(C)C1
InChIInChI=1S/C16H31NO/c1-13-9-15(11-16(2,3)10-13)17-7-4-8-18-12-14-5-6-14/h13-15,17H,4-12H2,1-3H3
InChIKeyFLIDLYUVSDWILQ-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.61
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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Related Compounds

trans-(1S,5R)-N-(3-ethoxypropyl)-3,3,5-trimethylcyclohexan-1-amine
CID 8024888
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 113357739
4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 114146901
N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
CID 60887199
1-N-[3-(cyclopropylmethoxy)propyl]cyclobutane-1,3-diamine
CID 80559624
N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine
CID 28718710
4-[(3,3,5-trimethylcyclohexyl)amino]butane-1-sulfonic acid
CID 146217764
N-[3-(cyclopropylmethoxy)propyl]-1,2-dimethylpiperidin-4-amine
CID 81301163
N-[3-(cyclopropylmethoxy)propyl]-4-propan-2-ylcyclohexan-1-amine
CID 62703150
N-[3-(cyclopropylmethoxy)propyl]-1-ethylpiperidin-4-amine
CID 28718720
2,2-dimethyl-4-[(3,3,5-trimethylcyclohexyl)amino]butanoic acid;2,2,2-trifluoroacetic acid
CID 166238775
3-(cyclopropylmethoxy)-N-methylpropan-1-amine
CID 60697422

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-3,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-3,3,5-trimethylcyclohexan-1-amine (CID 43081894) is N-[3-(cyclopropylmethoxy)propyl]-3,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-3,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-3,3,5-trimethylcyclohexan-1-amine is CC1CC(NCCCOCC2CC2)CC(C)(C)C1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-3,3,5-trimethylcyclohexan-1-amine?
The InChIKey is FLIDLYUVSDWILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-13-9-15(11-16(2,3)10-13)17-7-4-8-18-12-14-5-6-14/h13-15,17H,4-12H2,1-3H3.
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-3,3,5-trimethylcyclohexan-1-amine?
N-[3-(cyclopropylmethoxy)propyl]-3,3,5-trimethylcyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-3,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 43081894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).