(3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine

C16H31NO — CID 116761764

IUPAC(3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine
SMILESCCOC1(C(N)C2CCC(C)C(C)C2)CCCC1
InChIInChI=1S/C16H31NO/c1-4-18-16(9-5-6-10-16)15(17)14-8-7-12(2)13(3)11-14/h12-15H,4-11,17H2,1-3H3
InChIKeyMPPIZEWASYCFPL-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.74
Rot. Bonds4

About (3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine

(3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine (PubChem CID 116761764) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine
PubChem CID116761764
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name(3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine
SMILESCCOC1(C(N)C2CCC(C)C(C)C2)CCCC1
InChIInChI=1S/C16H31NO/c1-4-18-16(9-5-6-10-16)15(17)14-8-7-12(2)13(3)11-14/h12-15H,4-11,17H2,1-3H3
InChIKeyMPPIZEWASYCFPL-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3,4-dimethylcyclohexyl)-(1-ethoxycycloheptyl)methyl]hydrazine
CID 105278479
N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine
CID 116764131
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116766990
(4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine
CID 116765339
(3,4-dimethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methanamine
CID 116766285
(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116768084
(1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 116763566
(1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine
CID 116767018
[(3,4-dimethylcyclohexyl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105277347
(1-ethoxycyclohexyl)-(oxan-3-yl)methanamine
CID 107136911
cyclopentyl-(4-ethoxyoxan-4-yl)methanamine
CID 116765524
(4-ethoxyoxan-4-yl)-(3-ethylcyclohexyl)methanamine
CID 116765468

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine?
The IUPAC name of (3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine (CID 116761764) is (3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine is CCOC1(C(N)C2CCC(C)C(C)C2)CCCC1.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine?
The InChIKey is MPPIZEWASYCFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-18-16(9-5-6-10-16)15(17)14-8-7-12(2)13(3)11-14/h12-15H,4-11,17H2,1-3H3.
What are the key properties of (3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine?
(3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine has a molecular weight of 253.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine is sourced from PubChem (CID 116761764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).