2-amino-1-cycloheptyl-3-methylbutan-1-ol

C12H25NO — CID 115347541

IUPAC2-amino-1-cycloheptyl-3-methylbutan-1-ol
SMILESCC(C)C(N)C(O)C1CCCCCC1
InChIInChI=1S/C12H25NO/c1-9(2)11(13)12(14)10-7-5-3-4-6-8-10/h9-12,14H,3-8,13H2,1-2H3
InChIKeyLQDNUNXFBRTBQR-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.30
Rot. Bonds3

About 2-amino-1-cycloheptyl-3-methylbutan-1-ol

2-amino-1-cycloheptyl-3-methylbutan-1-ol (PubChem CID 115347541) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-amino-1-cycloheptyl-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-1-cycloheptyl-3-methylbutan-1-ol
PubChem CID115347541
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-amino-1-cycloheptyl-3-methylbutan-1-ol
SMILESCC(C)C(N)C(O)C1CCCCCC1
InChIInChI=1S/C12H25NO/c1-9(2)11(13)12(14)10-7-5-3-4-6-8-10/h9-12,14H,3-8,13H2,1-2H3
InChIKeyLQDNUNXFBRTBQR-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptylpropane-1,2-diol
CID 103452573
(2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride
CID 126622776
2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
CID 113428536
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
2,3-diamino-1-cyclohexylpropan-1-ol;dihydrochloride
CID 24837070
3-cyclododecylbutan-2-ol
CID 10444334
(2R,4R)-4-amino-4-cyclohexylbutan-2-ol
CID 131096382
1-cyclobutyl-2,3-dimethylbutan-1-ol
CID 115837893
2-chloro-1-cyclopentylpropan-1-ol
CID 116863753
1,3-diamino-1,3-dicyclohexylpropan-2-ol
CID 140971393
1-cyclohexylpropane-1,2-diamine
CID 20574714
2-cyclohexylpentan-3-amine
CID 79308576

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cycloheptyl-3-methylbutan-1-ol?
The IUPAC name of 2-amino-1-cycloheptyl-3-methylbutan-1-ol (CID 115347541) is 2-amino-1-cycloheptyl-3-methylbutan-1-ol.
What is the SMILES notation for 2-amino-1-cycloheptyl-3-methylbutan-1-ol?
The canonical SMILES for 2-amino-1-cycloheptyl-3-methylbutan-1-ol is CC(C)C(N)C(O)C1CCCCCC1.
What is the InChIKey of 2-amino-1-cycloheptyl-3-methylbutan-1-ol?
The InChIKey is LQDNUNXFBRTBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)11(13)12(14)10-7-5-3-4-6-8-10/h9-12,14H,3-8,13H2,1-2H3.
What are the key properties of 2-amino-1-cycloheptyl-3-methylbutan-1-ol?
2-amino-1-cycloheptyl-3-methylbutan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cycloheptyl-3-methylbutan-1-ol is sourced from PubChem (CID 115347541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).