N-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine

C19H39NO — CID 116766596

IUPACN-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine
SMILESCCCCCCCCC(NCC)C1(OC)CCC(C)CC1
InChIInChI=1S/C19H39NO/c1-5-7-8-9-10-11-12-18(20-6-2)19(21-4)15-13-17(3)14-16-19/h17-18,20H,5-16H2,1-4H3
InChIKeyAZDYZEHLKGYKNW-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.31
Rot. Bonds11

About N-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine

N-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine (PubChem CID 116766596) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is N-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine
PubChem CID116766596
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC NameN-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine
SMILESCCCCCCCCC(NCC)C1(OC)CCC(C)CC1
InChIInChI=1S/C19H39NO/c1-5-7-8-9-10-11-12-18(20-6-2)19(21-4)15-13-17(3)14-16-19/h17-18,20H,5-16H2,1-4H3
InChIKeyAZDYZEHLKGYKNW-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.31
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-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine
CID 107009746
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine
CID 116766659
1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine
CID 116766098
1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol
CID 116754485
1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79074441
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine
CID 116766678
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766647
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 116766642
1-(1-ethoxycyclopentyl)-N-ethylnonan-1-amine
CID 116762131
(1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
CID 104932362
1-(1-methoxycyclobutyl)heptylhydrazine
CID 105270416
1-(1-methoxycycloheptyl)heptylhydrazine
CID 105278282

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine?
The IUPAC name of N-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine (CID 116766596) is N-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine?
The canonical SMILES for N-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine is CCCCCCCCC(NCC)C1(OC)CCC(C)CC1.
What is the InChIKey of N-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine?
The InChIKey is AZDYZEHLKGYKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-5-7-8-9-10-11-12-18(20-6-2)19(21-4)15-13-17(3)14-16-19/h17-18,20H,5-16H2,1-4H3.
What are the key properties of N-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine?
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine has a molecular weight of 297.53 g/mol, XLogP of 5.31, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine is sourced from PubChem (CID 116766596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).