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

C11H24N2O — CID 64797293

IUPAC2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol
SMILESCN(CC(N)CO)C1CCCCCC1
InChIInChI=1S/C11H24N2O/c1-13(8-10(12)9-14)11-6-4-2-3-5-7-11/h10-11,14H,2-9,12H2,1H3
InChIKeyRBMQDMOHUHXOOH-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.96
Rot. Bonds4

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

2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol (PubChem CID 64797293) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol
PubChem CID64797293
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol
SMILESCN(CC(N)CO)C1CCCCCC1
InChIInChI=1S/C11H24N2O/c1-13(8-10(12)9-14)11-6-4-2-3-5-7-11/h10-11,14H,2-9,12H2,1H3
InChIKeyRBMQDMOHUHXOOH-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

1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine
CID 114264928
3-amino-4-[cyclohexyl(methyl)amino]butanoic acid
CID 115241626
N'-cyclopentyl-1-cyclopropyl-N'-methylethane-1,2-diamine
CID 63914724
1,3-bis[cyclooctyl(methyl)amino]propan-2-ol
CID 130316337
1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine
CID 81102490
(2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine
CID 104873486
1-[cyclooctyl(methyl)amino]butan-2-ol
CID 130316324
2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 64787802
1-N-cyclohexyl-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929489
N-methyl-N-(2-methylpropyl)cyclopentanamine
CID 89147388
4-[cycloheptyl(methyl)amino]-3-(ethylamino)butan-1-ol
CID 64897532
N'-cycloheptyl-1-cyclopropyl-N,N'-dimethylethane-1,2-diamine
CID 63914736

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol?
The IUPAC name of 2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol (CID 64797293) is 2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol?
The canonical SMILES for 2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol is CN(CC(N)CO)C1CCCCCC1.
What is the InChIKey of 2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol?
The InChIKey is RBMQDMOHUHXOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-13(8-10(12)9-14)11-6-4-2-3-5-7-11/h10-11,14H,2-9,12H2,1H3.
What are the key properties of 2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol?
2-amino-3-[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 2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 64797293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).