N-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine

C15H31NO — CID 62107816

IUPACN-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine
SMILESCCCNCC1(OCC)CCC(CCC)CC1
InChIInChI=1S/C15H31NO/c1-4-7-14-8-10-15(11-9-14,17-6-3)13-16-12-5-2/h14,16H,4-13H2,1-3H3
InChIKeyWHXHURWSTYWSJR-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds8

About N-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine

N-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine (PubChem CID 62107816) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine
PubChem CID62107816
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine
SMILESCCCNCC1(OCC)CCC(CCC)CC1
InChIInChI=1S/C15H31NO/c1-4-7-14-8-10-15(11-9-14,17-6-3)13-16-12-5-2/h14,16H,4-13H2,1-3H3
InChIKeyWHXHURWSTYWSJR-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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-[[1-(cyclopentylmethoxy)-4-propylcyclohexyl]methyl]propan-1-amine
CID 66322903
N-[(1-ethoxy-4-propylcyclohexyl)methyl]cyclopropanamine
CID 62107994
(1-ethoxy-4-propylcyclohexyl)methanol
CID 165489983
N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine
CID 63473884
N-[[1-(cyclopentylmethoxy)-4-ethylcyclohexyl]methyl]propan-1-amine
CID 66322045
N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine
CID 63474602
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 62110752
N-[[4-ethyl-1-(4-methylpentoxy)cyclohexyl]methyl]propan-1-amine
CID 63475716
N-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine
CID 106449156
N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine
CID 63686920
N-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine
CID 63474851
N-[[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-1-amine
CID 115942646

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine (CID 62107816) is N-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine is CCCNCC1(OCC)CCC(CCC)CC1.
What is the InChIKey of N-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine?
The InChIKey is WHXHURWSTYWSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-7-14-8-10-15(11-9-14,17-6-3)13-16-12-5-2/h14,16H,4-13H2,1-3H3.
What are the key properties of N-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine?
N-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 62107816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).