1-(1-amino-3-methylbutyl)cycloheptan-1-ol

C12H25NO — CID 18373812

IUPAC1-(1-amino-3-methylbutyl)cycloheptan-1-ol
SMILESCC(C)CC(N)C1(O)CCCCCC1
InChIInChI=1S/C12H25NO/c1-10(2)9-11(13)12(14)7-5-3-4-6-8-12/h10-11,14H,3-9,13H2,1-2H3
InChIKeyGRTNAUZRTBJOSF-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.45
Rot. Bonds3

About 1-(1-amino-3-methylbutyl)cycloheptan-1-ol

1-(1-amino-3-methylbutyl)cycloheptan-1-ol (PubChem CID 18373812) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(1-amino-3-methylbutyl)cycloheptan-1-ol.

Molecular Properties

Compound Name1-(1-amino-3-methylbutyl)cycloheptan-1-ol
PubChem CID18373812
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(1-amino-3-methylbutyl)cycloheptan-1-ol
SMILESCC(C)CC(N)C1(O)CCCCCC1
InChIInChI=1S/C12H25NO/c1-10(2)9-11(13)12(14)7-5-3-4-6-8-12/h10-11,14H,3-9,13H2,1-2H3
InChIKeyGRTNAUZRTBJOSF-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-methylbutyl)cycloheptan-1-ol?
The IUPAC name of 1-(1-amino-3-methylbutyl)cycloheptan-1-ol (CID 18373812) is 1-(1-amino-3-methylbutyl)cycloheptan-1-ol.
What is the SMILES notation for 1-(1-amino-3-methylbutyl)cycloheptan-1-ol?
The canonical SMILES for 1-(1-amino-3-methylbutyl)cycloheptan-1-ol is CC(C)CC(N)C1(O)CCCCCC1.
What is the InChIKey of 1-(1-amino-3-methylbutyl)cycloheptan-1-ol?
The InChIKey is GRTNAUZRTBJOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)9-11(13)12(14)7-5-3-4-6-8-12/h10-11,14H,3-9,13H2,1-2H3.
What are the key properties of 1-(1-amino-3-methylbutyl)cycloheptan-1-ol?
1-(1-amino-3-methylbutyl)cycloheptan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-methylbutyl)cycloheptan-1-ol is sourced from PubChem (CID 18373812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).