4-(propan-2-ylamino)cyclohexane-1,2-diol

C9H19NO2 — CID 140651250

IUPAC4-(propan-2-ylamino)cyclohexane-1,2-diol
SMILESCC(C)NC1CCC(O)C(O)C1
InChIInChI=1S/C9H19NO2/c1-6(2)10-7-3-4-8(11)9(12)5-7/h6-12H,3-5H2,1-2H3
InChIKeyVWSIJPQYJZSGQE-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.26
Rot. Bonds2

About 4-(propan-2-ylamino)cyclohexane-1,2-diol

4-(propan-2-ylamino)cyclohexane-1,2-diol (PubChem CID 140651250) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-(propan-2-ylamino)cyclohexane-1,2-diol.

Molecular Properties

Compound Name4-(propan-2-ylamino)cyclohexane-1,2-diol
PubChem CID140651250
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-(propan-2-ylamino)cyclohexane-1,2-diol
SMILESCC(C)NC1CCC(O)C(O)C1
InChIInChI=1S/C9H19NO2/c1-6(2)10-7-3-4-8(11)9(12)5-7/h6-12H,3-5H2,1-2H3
InChIKeyVWSIJPQYJZSGQE-UHFFFAOYSA-N
XLogP0.26
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-(propan-2-ylamino)cyclopentan-1-ol
CID 130990833
3-(propan-2-ylamino)cycloheptan-1-ol
CID 160609920
trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394445
(1R)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394376
trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 58431127
1-[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]ethenol
CID 58404352
[(1R,3S)-3-(propan-2-ylamino)cyclopentyl]methanol
CID 170669831
trans-(1S,2S)-2-(propan-2-ylamino)cyclobutan-1-ol
CID 176810875
1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine
CID 101492125
4-methyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine
CID 137442853
1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine
CID 158687236
N-propan-2-ylcycloheptanamine
CID 42562651

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)cyclohexane-1,2-diol?
The IUPAC name of 4-(propan-2-ylamino)cyclohexane-1,2-diol (CID 140651250) is 4-(propan-2-ylamino)cyclohexane-1,2-diol.
What is the SMILES notation for 4-(propan-2-ylamino)cyclohexane-1,2-diol?
The canonical SMILES for 4-(propan-2-ylamino)cyclohexane-1,2-diol is CC(C)NC1CCC(O)C(O)C1.
What is the InChIKey of 4-(propan-2-ylamino)cyclohexane-1,2-diol?
The InChIKey is VWSIJPQYJZSGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6(2)10-7-3-4-8(11)9(12)5-7/h6-12H,3-5H2,1-2H3.
What are the key properties of 4-(propan-2-ylamino)cyclohexane-1,2-diol?
4-(propan-2-ylamino)cyclohexane-1,2-diol has a molecular weight of 173.26 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)cyclohexane-1,2-diol is sourced from PubChem (CID 140651250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).