1-(1-cyclohexylbutylamino)-2-methylpropan-2-ol

C14H29NO — CID 115718648

IUPAC1-(1-cyclohexylbutylamino)-2-methylpropan-2-ol
SMILESCCCC(NCC(C)(C)O)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-4-8-13(15-11-14(2,3)16)12-9-6-5-7-10-12/h12-13,15-16H,4-11H2,1-3H3
InChIKeyUYEXHBSUGBGSJB-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.10
Rot. Bonds6

About 1-(1-cyclohexylbutylamino)-2-methylpropan-2-ol

1-(1-cyclohexylbutylamino)-2-methylpropan-2-ol (PubChem CID 115718648) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(1-cyclohexylbutylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1-cyclohexylbutylamino)-2-methylpropan-2-ol
PubChem CID115718648
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(1-cyclohexylbutylamino)-2-methylpropan-2-ol
SMILESCCCC(NCC(C)(C)O)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-4-8-13(15-11-14(2,3)16)12-9-6-5-7-10-12/h12-13,15-16H,4-11H2,1-3H3
InChIKeyUYEXHBSUGBGSJB-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol
CID 115751327
N-butyl-1-cyclopentylbutan-1-amine
CID 173232536
1-cyclooctyl-N-ethylheptan-1-amine
CID 80603132
1-cyclohexyl-N-ethyloctan-1-amine
CID 63413572
1-cyclohexyl-N-ethyldodecan-1-amine
CID 114981553
1-cyclopentyl-N-ethyl-5-methoxy-5-methylhexan-1-amine
CID 103034619
N-methyl-1-(4-propylcyclohexyl)butan-1-amine
CID 65423384
1-(1-cyclohexylethylamino)-2-methylbutan-2-ol
CID 65108537
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-cyclopentyl-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 64565156

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylbutylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(1-cyclohexylbutylamino)-2-methylpropan-2-ol (CID 115718648) is 1-(1-cyclohexylbutylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1-cyclohexylbutylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(1-cyclohexylbutylamino)-2-methylpropan-2-ol is CCCC(NCC(C)(C)O)C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexylbutylamino)-2-methylpropan-2-ol?
The InChIKey is UYEXHBSUGBGSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-8-13(15-11-14(2,3)16)12-9-6-5-7-10-12/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of 1-(1-cyclohexylbutylamino)-2-methylpropan-2-ol?
1-(1-cyclohexylbutylamino)-2-methylpropan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylbutylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 115718648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).