[1-[(2-ethylcyclohexyl)amino]-4-methylcyclohexyl]methanol

C16H31NO — CID 55251873

IUPAC[1-[(2-ethylcyclohexyl)amino]-4-methylcyclohexyl]methanol
SMILESCCC1CCCCC1NC1(CO)CCC(C)CC1
InChIInChI=1S/C16H31NO/c1-3-14-6-4-5-7-15(14)17-16(12-18)10-8-13(2)9-11-16/h13-15,17-18H,3-12H2,1-2H3
InChIKeyXDNFBKDAKMJBHF-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.49
Rot. Bonds4

About [1-[(2-ethylcyclohexyl)amino]-4-methylcyclohexyl]methanol

[1-[(2-ethylcyclohexyl)amino]-4-methylcyclohexyl]methanol (PubChem CID 55251873) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is [1-[(2-ethylcyclohexyl)amino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-ethylcyclohexyl)amino]-4-methylcyclohexyl]methanol
PubChem CID55251873
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name[1-[(2-ethylcyclohexyl)amino]-4-methylcyclohexyl]methanol
SMILESCCC1CCCCC1NC1(CO)CCC(C)CC1
InChIInChI=1S/C16H31NO/c1-3-14-6-4-5-7-15(14)17-16(12-18)10-8-13(2)9-11-16/h13-15,17-18H,3-12H2,1-2H3
InChIKeyXDNFBKDAKMJBHF-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-ethylcyclohexyl)amino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[(2-ethylcyclohexyl)amino]-4-methylcyclohexyl]methanol (CID 55251873) is [1-[(2-ethylcyclohexyl)amino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(2-ethylcyclohexyl)amino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(2-ethylcyclohexyl)amino]-4-methylcyclohexyl]methanol is CCC1CCCCC1NC1(CO)CCC(C)CC1.
What is the InChIKey of [1-[(2-ethylcyclohexyl)amino]-4-methylcyclohexyl]methanol?
The InChIKey is XDNFBKDAKMJBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-14-6-4-5-7-15(14)17-16(12-18)10-8-13(2)9-11-16/h13-15,17-18H,3-12H2,1-2H3.
What are the key properties of [1-[(2-ethylcyclohexyl)amino]-4-methylcyclohexyl]methanol?
[1-[(2-ethylcyclohexyl)amino]-4-methylcyclohexyl]methanol has a molecular weight of 253.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-ethylcyclohexyl)amino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 55251873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).