1-(1-ethoxycyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine

C17H35NO2 — CID 116764282

IUPAC1-(1-ethoxycyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(C(C)CCOC)C1(OCC)CCCCC1
InChIInChI=1S/C17H35NO2/c1-5-13-18-16(15(3)10-14-19-4)17(20-6-2)11-8-7-9-12-17/h15-16,18H,5-14H2,1-4H3
InChIKeyDFIZXQGUNILZAG-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.77
Rot. Bonds10

About 1-(1-ethoxycyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine

1-(1-ethoxycyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine (PubChem CID 116764282) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine
PubChem CID116764282
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name1-(1-ethoxycyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(C(C)CCOC)C1(OCC)CCCCC1
InChIInChI=1S/C17H35NO2/c1-5-13-18-16(15(3)10-14-19-4)17(20-6-2)11-8-7-9-12-17/h15-16,18H,5-14H2,1-4H3
InChIKeyDFIZXQGUNILZAG-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine
CID 116765269
1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-methyl-N-propylpentan-1-amine
CID 107896937
1-(1-methoxycyclobutyl)-2-methyl-N-propylbutan-1-amine
CID 116714936
4-methoxy-1-(1-methoxycycloheptyl)-N,2-dimethylbutan-1-amine
CID 116770246
1-(1-ethoxycycloheptyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 116771119
[1-(1-ethoxycyclopentyl)-2-methylpentyl]hydrazine
CID 107895362
N-ethyl-1-(1-methoxycycloheptyl)-2-methylpentan-1-amine
CID 114013846
4-methoxy-1-(1-methoxycycloheptyl)-2-methylbutan-1-amine
CID 116770014
1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine
CID 116764224
N,N-dimethyl-1-[2-methyl-1-(propylamino)butyl]cycloheptan-1-amine
CID 79445008
1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114476070
1-(1-ethoxycyclopentyl)-N,2-dimethylpropan-1-amine
CID 116761985

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(1-ethoxycyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine (CID 116764282) is 1-(1-ethoxycyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine is CCCNC(C(C)CCOC)C1(OCC)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine?
The InChIKey is DFIZXQGUNILZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-5-13-18-16(15(3)10-14-19-4)17(20-6-2)11-8-7-9-12-17/h15-16,18H,5-14H2,1-4H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine?
1-(1-ethoxycyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine has a molecular weight of 285.47 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116764282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).