1-(4-ethyl-1-heptoxycyclohexyl)-N-methylmethanamine

C17H35NO — CID 55192680

IUPAC1-(4-ethyl-1-heptoxycyclohexyl)-N-methylmethanamine
SMILESCCCCCCCOC1(CNC)CCC(CC)CC1
InChIInChI=1S/C17H35NO/c1-4-6-7-8-9-14-19-17(15-18-3)12-10-16(5-2)11-13-17/h16,18H,4-15H2,1-3H3
InChIKeyYOJKKWZCKUYUNG-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.53
Rot. Bonds10

About 1-(4-ethyl-1-heptoxycyclohexyl)-N-methylmethanamine

1-(4-ethyl-1-heptoxycyclohexyl)-N-methylmethanamine (PubChem CID 55192680) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-(4-ethyl-1-heptoxycyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethyl-1-heptoxycyclohexyl)-N-methylmethanamine
PubChem CID55192680
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-(4-ethyl-1-heptoxycyclohexyl)-N-methylmethanamine
SMILESCCCCCCCOC1(CNC)CCC(CC)CC1
InChIInChI=1S/C17H35NO/c1-4-6-7-8-9-14-19-17(15-18-3)12-10-16(5-2)11-13-17/h16,18H,4-15H2,1-3H3
InChIKeyYOJKKWZCKUYUNG-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.53
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
1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine
CID 63474629
1-(bromomethyl)-4-ethyl-1-heptoxycyclohexane
CID 63475655
N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine
CID 63473884
N-[[4-ethyl-1-(4-methylpentoxy)cyclohexyl]methyl]propan-1-amine
CID 63475716
1-(4-ethyl-1-methoxycyclohexyl)-N-methylmethanamine
CID 62108178
1-(1-cyclobutyloxy-4-ethylcyclohexyl)-N-methylmethanamine
CID 62382935
N-[(1-octoxycyclohexyl)methyl]cyclopropanamine
CID 63476268
1-[4-ethyl-1-(oxolan-3-yloxy)cyclohexyl]-N-methylmethanamine
CID 63556495
N-[(1-pentoxycyclopentyl)methyl]propan-1-amine
CID 62110733
1-hexoxy-1-(iodomethyl)-4-methylcyclohexane
CID 114773514
N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine
CID 103180350

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1-heptoxycyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(4-ethyl-1-heptoxycyclohexyl)-N-methylmethanamine (CID 55192680) is 1-(4-ethyl-1-heptoxycyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethyl-1-heptoxycyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-ethyl-1-heptoxycyclohexyl)-N-methylmethanamine is CCCCCCCOC1(CNC)CCC(CC)CC1.
What is the InChIKey of 1-(4-ethyl-1-heptoxycyclohexyl)-N-methylmethanamine?
The InChIKey is YOJKKWZCKUYUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-6-7-8-9-14-19-17(15-18-3)12-10-16(5-2)11-13-17/h16,18H,4-15H2,1-3H3.
What are the key properties of 1-(4-ethyl-1-heptoxycyclohexyl)-N-methylmethanamine?
1-(4-ethyl-1-heptoxycyclohexyl)-N-methylmethanamine has a molecular weight of 269.47 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1-heptoxycyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 55192680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).