[1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol

C15H31NO — CID 81419360

IUPAC[1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol
SMILESCCC(CC)C(C)NCC1(CO)CCCCC1
InChIInChI=1S/C15H31NO/c1-4-14(5-2)13(3)16-11-15(12-17)9-7-6-8-10-15/h13-14,16-17H,4-12H2,1-3H3
InChIKeyQHQOAUZTFKIUOU-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.34
Rot. Bonds7

About [1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol

[1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol (PubChem CID 81419360) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is [1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol
PubChem CID81419360
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name[1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol
SMILESCCC(CC)C(C)NCC1(CO)CCCCC1
InChIInChI=1S/C15H31NO/c1-4-14(5-2)13(3)16-11-15(12-17)9-7-6-8-10-15/h13-14,16-17H,4-12H2,1-3H3
InChIKeyQHQOAUZTFKIUOU-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-pentan-3-ylpropanamide
CID 115359406
[1-[(1-cyclopentylethylamino)methyl]cyclohexyl]methanol
CID 81419658
[1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol
CID 112703676
[1-[(1-methoxybutan-2-ylamino)methyl]cyclopentyl]methanol
CID 115358645
2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966036
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-pentan-2-ylpropanamide
CID 115359436
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-sulfanylpropanamide
CID 107034279
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pentanenitrile
CID 115359528
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-pentylpropanamide
CID 115359404
[1-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopropyl]methanol
CID 115454495
[1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol
CID 103903221
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 113293910

Frequently Asked Questions

What is the IUPAC name of [1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol (CID 81419360) is [1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol is CCC(CC)C(C)NCC1(CO)CCCCC1.
What is the InChIKey of [1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol?
The InChIKey is QHQOAUZTFKIUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-14(5-2)13(3)16-11-15(12-17)9-7-6-8-10-15/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of [1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol?
[1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol has a molecular weight of 241.42 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81419360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).