1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol

C13H28N2O2 — CID 79560235

IUPAC1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNC(C)CC1CCCCCN1
InChIInChI=1S/C13H28N2O2/c1-11(15-9-13(16)10-17-2)8-12-6-4-3-5-7-14-12/h11-16H,3-10H2,1-2H3
InChIKeyNXMAWUIMMWOHSA-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.89
Rot. Bonds7

About 1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol

1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol (PubChem CID 79560235) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol
PubChem CID79560235
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNC(C)CC1CCCCCN1
InChIInChI=1S/C13H28N2O2/c1-11(15-9-13(16)10-17-2)8-12-6-4-3-5-7-14-12/h11-16H,3-10H2,1-2H3
InChIKeyNXMAWUIMMWOHSA-UHFFFAOYSA-N
XLogP0.89
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)propan-1-amine
CID 79540301
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
3-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,2-diol
CID 79540718
N-[1-(azepan-2-yl)propan-2-yl]-4-methoxybutan-1-amine
CID 79560965
methyl 3-[1-(azepan-2-yl)propan-2-ylamino]propanoate
CID 79560294
2-methoxy-2-methyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
CID 104759518
N-(cyclobutylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79549693
1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine
CID 79560276
2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
CID 79538185
N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011
4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine
CID 79541172
3-[1-(azepan-2-yl)propan-2-ylamino]-2,2-dimethylpropanamide
CID 106274610

Frequently Asked Questions

What is the IUPAC name of 1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol (CID 79560235) is 1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol is COCC(O)CNC(C)CC1CCCCCN1.
What is the InChIKey of 1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol?
The InChIKey is NXMAWUIMMWOHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(15-9-13(16)10-17-2)8-12-6-4-3-5-7-14-12/h11-16H,3-10H2,1-2H3.
What are the key properties of 1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol?
1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 79560235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).