2-[(N-butylanilino)methyl]-4-ethylcyclohexan-1-ol

C19H31NO — CID 64585632

IUPAC2-[(N-butylanilino)methyl]-4-ethylcyclohexan-1-ol
SMILESCCCCN(CC1CC(CC)CCC1O)c1ccccc1
InChIInChI=1S/C19H31NO/c1-3-5-13-20(18-9-7-6-8-10-18)15-17-14-16(4-2)11-12-19(17)21/h6-10,16-17,19,21H,3-5,11-15H2,1-2H3
InChIKeyKDOUWDJHCZTTKR-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.48
Rot. Bonds7

About 2-[(N-butylanilino)methyl]-4-ethylcyclohexan-1-ol

2-[(N-butylanilino)methyl]-4-ethylcyclohexan-1-ol (PubChem CID 64585632) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[(N-butylanilino)methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(N-butylanilino)methyl]-4-ethylcyclohexan-1-ol
PubChem CID64585632
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-[(N-butylanilino)methyl]-4-ethylcyclohexan-1-ol
SMILESCCCCN(CC1CC(CC)CCC1O)c1ccccc1
InChIInChI=1S/C19H31NO/c1-3-5-13-20(18-9-7-6-8-10-18)15-17-14-16(4-2)11-12-19(17)21/h6-10,16-17,19,21H,3-5,11-15H2,1-2H3
InChIKeyKDOUWDJHCZTTKR-UHFFFAOYSA-N
XLogP4.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(N-butylanilino)methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-[(N-butylanilino)methyl]-4-ethylcyclohexan-1-ol (CID 64585632) is 2-[(N-butylanilino)methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-[(N-butylanilino)methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-[(N-butylanilino)methyl]-4-ethylcyclohexan-1-ol is CCCCN(CC1CC(CC)CCC1O)c1ccccc1.
What is the InChIKey of 2-[(N-butylanilino)methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is KDOUWDJHCZTTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-5-13-20(18-9-7-6-8-10-18)15-17-14-16(4-2)11-12-19(17)21/h6-10,16-17,19,21H,3-5,11-15H2,1-2H3.
What are the key properties of 2-[(N-butylanilino)methyl]-4-ethylcyclohexan-1-ol?
2-[(N-butylanilino)methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-butylanilino)methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 64585632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).