N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine

C16H33NO — CID 63473884

IUPACN-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCCOC1(CNCCC)CCC(CC)CC1
InChIInChI=1S/C16H33NO/c1-4-7-13-18-16(14-17-12-5-2)10-8-15(6-3)9-11-16/h15,17H,4-14H2,1-3H3
InChIKeyGPUVEUXBJDPUKZ-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.14
Rot. Bonds9

About N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine

N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine (PubChem CID 63473884) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine
PubChem CID63473884
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCCOC1(CNCCC)CCC(CC)CC1
InChIInChI=1S/C16H33NO/c1-4-7-13-18-16(14-17-12-5-2)10-8-15(6-3)9-11-16/h15,17H,4-14H2,1-3H3
InChIKeyGPUVEUXBJDPUKZ-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.14
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

1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine
CID 62108726
N-[[4-ethyl-1-(4-methylpentoxy)cyclohexyl]methyl]propan-1-amine
CID 63475716
N-[[1-(cyclopentylmethoxy)-4-ethylcyclohexyl]methyl]propan-1-amine
CID 66322045
1-(4-ethyl-1-heptoxycyclohexyl)-N-methylmethanamine
CID 55192680
N-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine
CID 106449156
N-[(1-pentoxycyclopentyl)methyl]propan-1-amine
CID 62110733
N-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine
CID 62107816
N-[(1-pentoxycycloheptyl)methyl]propan-1-amine
CID 55192110
1-(bromomethyl)-4-ethyl-1-heptoxycyclohexane
CID 63475655
N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine
CID 103180350
N-[[1-(cyclopentylmethoxy)-4-propylcyclohexyl]methyl]propan-1-amine
CID 66322903
N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 63475515

Frequently Asked Questions

What is the IUPAC name of N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine (CID 63473884) is N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine is CCCCOC1(CNCCC)CCC(CC)CC1.
What is the InChIKey of N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine?
The InChIKey is GPUVEUXBJDPUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-7-13-18-16(14-17-12-5-2)10-8-15(6-3)9-11-16/h15,17H,4-14H2,1-3H3.
What are the key properties of N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine?
N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 63473884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).