1-(1-aminocycloheptyl)propan-2-ol

C10H21NO — CID 115013932

IUPAC1-(1-aminocycloheptyl)propan-2-ol
SMILESCC(O)CC1(N)CCCCCC1
InChIInChI=1S/C10H21NO/c1-9(12)8-10(11)6-4-2-3-5-7-10/h9,12H,2-8,11H2,1H3
InChIKeyBLBMUQUVVDEJNI-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.81
Rot. Bonds2

About 1-(1-aminocycloheptyl)propan-2-ol

1-(1-aminocycloheptyl)propan-2-ol (PubChem CID 115013932) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(1-aminocycloheptyl)propan-2-ol.

Molecular Properties

Compound Name1-(1-aminocycloheptyl)propan-2-ol
PubChem CID115013932
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(1-aminocycloheptyl)propan-2-ol
SMILESCC(O)CC1(N)CCCCCC1
InChIInChI=1S/C10H21NO/c1-9(12)8-10(11)6-4-2-3-5-7-10/h9,12H,2-8,11H2,1H3
InChIKeyBLBMUQUVVDEJNI-UHFFFAOYSA-N
XLogP1.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminocyclobutyl)propan-2-ol
CID 55284401
(2R)-1-(1-aminocyclopropyl)propan-2-ol
CID 96637979
1-(4-amino-1-ethylpiperidin-4-yl)propan-2-ol
CID 155709822
1-[1-(aminomethyl)cyclopentyl]propan-2-ol
CID 130514677
(1S)-1-(1-aminocycloheptyl)ethanol
CID 134175207
(1-aminocyclodecyl)methanol
CID 66910735
cyclohexane-1,1-diamine;2-methylpentane-2,4-diol
CID 174848693
2-(1-aminocycloicosyl)propane-1,1-diol
CID 155410308
1-(2-cycloheptylbutyl)cyclooctan-1-amine
CID 166977672
(1-aminocyclopentyl)methanol
CID 157241161
1-(1-ethylcyclobutyl)propan-2-ol
CID 126985384
(2R)-1-[2-[(2R)-2-hydroxypropyl]-1,3-dithian-2-yl]propan-2-ol
CID 135069547

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocycloheptyl)propan-2-ol?
The IUPAC name of 1-(1-aminocycloheptyl)propan-2-ol (CID 115013932) is 1-(1-aminocycloheptyl)propan-2-ol.
What is the SMILES notation for 1-(1-aminocycloheptyl)propan-2-ol?
The canonical SMILES for 1-(1-aminocycloheptyl)propan-2-ol is CC(O)CC1(N)CCCCCC1.
What is the InChIKey of 1-(1-aminocycloheptyl)propan-2-ol?
The InChIKey is BLBMUQUVVDEJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(12)8-10(11)6-4-2-3-5-7-10/h9,12H,2-8,11H2,1H3.
What are the key properties of 1-(1-aminocycloheptyl)propan-2-ol?
1-(1-aminocycloheptyl)propan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocycloheptyl)propan-2-ol is sourced from PubChem (CID 115013932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).