N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine

C15H31NO — CID 103698848

IUPACN-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCOCCCCCNC1CCC(C(C)C)CC1
InChIInChI=1S/C15H31NO/c1-13(2)14-7-9-15(10-8-14)16-11-5-4-6-12-17-3/h13-16H,4-12H2,1-3H3
InChIKeyQFKHEFYZXODPNZ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds8

About N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine

N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 103698848) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID103698848
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCOCCCCCNC1CCC(C(C)C)CC1
InChIInChI=1S/C15H31NO/c1-13(2)14-7-9-15(10-8-14)16-11-5-4-6-12-17-3/h13-16H,4-12H2,1-3H3
InChIKeyQFKHEFYZXODPNZ-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
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-(5-methoxypentyl)thian-4-amine
CID 103631860
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N-hexyl-4-propan-2-ylcyclohexan-1-amine
CID 63421018
N-pentyl-4-propan-2-ylcyclohexan-1-amine
CID 63418461
N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 114125031
N-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755681
N-[3-(cyclopropylmethoxy)propyl]-4-propan-2-ylcyclohexan-1-amine
CID 62703150
N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 62707679
N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine
CID 62440729
1-methoxy-4-[(4-propan-2-ylcyclohexyl)amino]butan-2-ol
CID 103876423
N-[4-(2-methylpropoxy)butyl]cyclopropanamine
CID 62445498
N-(5-methoxypentyl)thietan-3-amine
CID 135392195

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine (CID 103698848) is N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine is COCCCCCNC1CCC(C(C)C)CC1.
What is the InChIKey of N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is QFKHEFYZXODPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-13(2)14-7-9-15(10-8-14)16-11-5-4-6-12-17-3/h13-16H,4-12H2,1-3H3.
What are the key properties of N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine?
N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 241.42 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-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 103698848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).