3-amino-2-[cycloheptyl(methyl)amino]propan-1-ol

C11H24N2O — CID 104710851

IUPAC3-amino-2-[cycloheptyl(methyl)amino]propan-1-ol
SMILESCN(C(CN)CO)C1CCCCCC1
InChIInChI=1S/C11H24N2O/c1-13(11(8-12)9-14)10-6-4-2-3-5-7-10/h10-11,14H,2-9,12H2,1H3
InChIKeyJPKRSHWBCJHUCU-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.96
Rot. Bonds4

About 3-amino-2-[cycloheptyl(methyl)amino]propan-1-ol

3-amino-2-[cycloheptyl(methyl)amino]propan-1-ol (PubChem CID 104710851) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-amino-2-[cycloheptyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-amino-2-[cycloheptyl(methyl)amino]propan-1-ol
PubChem CID104710851
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-amino-2-[cycloheptyl(methyl)amino]propan-1-ol
SMILESCN(C(CN)CO)C1CCCCCC1
InChIInChI=1S/C11H24N2O/c1-13(11(8-12)9-14)10-6-4-2-3-5-7-10/h10-11,14H,2-9,12H2,1H3
InChIKeyJPKRSHWBCJHUCU-UHFFFAOYSA-N
XLogP0.96
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[cyclohexyl(ethyl)amino]propan-1-ol
CID 104710791
2-[cyclobutyl(methyl)amino]butane-1,4-diol
CID 58974334
2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine
CID 62951525
4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one
CID 66430294
4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide
CID 66430006
2-N-cyclopentyl-2-N,3,3-trimethylbutane-1,2-diamine
CID 61326826
2-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225536
1-[cyclohexyl(methyl)amino]ethanethiol
CID 88653649
2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol
CID 64797293
2-N-cyclopentyl-2-N,3-dimethylpentane-1,2-diamine
CID 43312482
N-cyclopentyl-N-methyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine
CID 43266988
tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate
CID 102730486

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[cycloheptyl(methyl)amino]propan-1-ol?
The IUPAC name of 3-amino-2-[cycloheptyl(methyl)amino]propan-1-ol (CID 104710851) is 3-amino-2-[cycloheptyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 3-amino-2-[cycloheptyl(methyl)amino]propan-1-ol?
The canonical SMILES for 3-amino-2-[cycloheptyl(methyl)amino]propan-1-ol is CN(C(CN)CO)C1CCCCCC1.
What is the InChIKey of 3-amino-2-[cycloheptyl(methyl)amino]propan-1-ol?
The InChIKey is JPKRSHWBCJHUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-13(11(8-12)9-14)10-6-4-2-3-5-7-10/h10-11,14H,2-9,12H2,1H3.
What are the key properties of 3-amino-2-[cycloheptyl(methyl)amino]propan-1-ol?
3-amino-2-[cycloheptyl(methyl)amino]propan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[cycloheptyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 104710851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).