[1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol

C15H31NO — CID 61048406

IUPAC[1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
SMILESCCC(C)NC1(CO)CC(C)CCC1C(C)C
InChIInChI=1S/C15H31NO/c1-6-13(5)16-15(10-17)9-12(4)7-8-14(15)11(2)3/h11-14,16-17H,6-10H2,1-5H3
InChIKeySIJZKXSSYFFJAP-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.20
Rot. Bonds5

About [1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol

[1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol (PubChem CID 61048406) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is [1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
PubChem CID61048406
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name[1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
SMILESCCC(C)NC1(CO)CC(C)CCC1C(C)C
InChIInChI=1S/C15H31NO/c1-6-13(5)16-15(10-17)9-12(4)7-8-14(15)11(2)3/h11-14,16-17H,6-10H2,1-5H3
InChIKeySIJZKXSSYFFJAP-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61044735
[1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 62543978
1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 54908142
2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid
CID 65236938
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
[1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 63428170
N-[(1S,2R,5S)-1-ethyl-5-methyl-2-propan-2-ylcyclohexyl]formamide
CID 141209786
[5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol
CID 63428303
2-[1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexyl]acetamide
CID 65233567
[1-(3-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 63428390
1-(1-hydroxyethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 57200441
N-ethyl-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 163406245

Frequently Asked Questions

What is the IUPAC name of [1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol?
The IUPAC name of [1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol (CID 61048406) is [1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol.
What is the SMILES notation for [1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol?
The canonical SMILES for [1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol is CCC(C)NC1(CO)CC(C)CCC1C(C)C.
What is the InChIKey of [1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol?
The InChIKey is SIJZKXSSYFFJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-13(5)16-15(10-17)9-12(4)7-8-14(15)11(2)3/h11-14,16-17H,6-10H2,1-5H3.
What are the key properties of [1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol?
[1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol has a molecular weight of 241.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol is sourced from PubChem (CID 61048406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).