3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-amine

C16H31NO — CID 116768623

IUPAC3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-amine
SMILESCCOC1(C(N)CCC2CC2)CCC(C)(C)CC1
InChIInChI=1S/C16H31NO/c1-4-18-16(11-9-15(2,3)10-12-16)14(17)8-7-13-5-6-13/h13-14H,4-12,17H2,1-3H3
InChIKeyOMTVMMCFDNBCGK-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.88
Rot. Bonds6

About 3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-amine

3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-amine (PubChem CID 116768623) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-amine
PubChem CID116768623
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-amine
SMILESCCOC1(C(N)CCC2CC2)CCC(C)(C)CC1
InChIInChI=1S/C16H31NO/c1-4-18-16(11-9-15(2,3)10-12-16)14(17)8-7-13-5-6-13/h13-14H,4-12,17H2,1-3H3
InChIKeyOMTVMMCFDNBCGK-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propyl]hydrazine
CID 105277902
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine
CID 116768604
1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 116768621
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine
CID 114857240
(1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine
CID 104932113
3-cyclopropyl-1-(1-methoxycyclohexyl)propan-1-amine
CID 116762659
(1S)-1-(1-ethoxycyclohexyl)butan-1-amine
CID 104932321
[1-(1-ethoxy-4,4-dimethylcyclohexyl)-2,2-dimethylpropyl]hydrazine
CID 105277919
(2R)-4-cyclopropylbutan-2-amine
CID 95367313
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116768615
2-cyclohexyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
CID 116768788

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-amine?
The IUPAC name of 3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-amine (CID 116768623) is 3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-amine?
The canonical SMILES for 3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-amine is CCOC1(C(N)CCC2CC2)CCC(C)(C)CC1.
What is the InChIKey of 3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-amine?
The InChIKey is OMTVMMCFDNBCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-18-16(11-9-15(2,3)10-12-16)14(17)8-7-13-5-6-13/h13-14H,4-12,17H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-amine?
3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-amine is sourced from PubChem (CID 116768623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).