N-[3-(cyclopropylmethoxy)propyl]-4-propan-2-ylcyclohexan-1-amine

C16H31NO — CID 62703150

IUPACN-[3-(cyclopropylmethoxy)propyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(NCCCOCC2CC2)CC1
InChIInChI=1S/C16H31NO/c1-13(2)15-6-8-16(9-7-15)17-10-3-11-18-12-14-4-5-14/h13-17H,3-12H2,1-2H3
InChIKeyRIFLWWNDEKNTSF-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.61
Rot. Bonds8

About N-[3-(cyclopropylmethoxy)propyl]-4-propan-2-ylcyclohexan-1-amine

N-[3-(cyclopropylmethoxy)propyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 62703150) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID62703150
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(NCCCOCC2CC2)CC1
InChIInChI=1S/C16H31NO/c1-13(2)15-6-8-16(9-7-15)17-10-3-11-18-12-14-4-5-14/h13-17H,3-12H2,1-2H3
InChIKeyRIFLWWNDEKNTSF-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine
CID 28718710
N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine
CID 103698848
N-[3-(cyclopropylmethoxy)propyl]-1-ethylpiperidin-4-amine
CID 28718720
1-N-[3-(cyclopropylmethoxy)propyl]cyclobutane-1,3-diamine
CID 80559624
N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 62707679
N-pentyl-4-propan-2-ylcyclohexan-1-amine
CID 63418461
N-hexyl-4-propan-2-ylcyclohexan-1-amine
CID 63421018
N-[2-(cyclopropylmethoxy)ethyl]-4-methoxycyclohexan-1-amine
CID 104530185
N-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091022
5-[(4-propan-2-ylcyclohexyl)amino]pentan-2-ol
CID 107267674
3-(cyclopropylmethoxy)-N-methylpropan-1-amine
CID 60697422
N-[2-(cyclopropylmethoxy)ethyl]cyclooctanamine
CID 115718328

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-4-propan-2-ylcyclohexan-1-amine (CID 62703150) is N-[3-(cyclopropylmethoxy)propyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(NCCCOCC2CC2)CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is RIFLWWNDEKNTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-13(2)15-6-8-16(9-7-15)17-10-3-11-18-12-14-4-5-14/h13-17H,3-12H2,1-2H3.
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-4-propan-2-ylcyclohexan-1-amine?
N-[3-(cyclopropylmethoxy)propyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 62703150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).