3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol

C12H25N3O — CID 104711109

IUPAC3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol
SMILESCN1CCCC2CN(C(CN)CO)CCC21
InChIInChI=1S/C12H25N3O/c1-14-5-2-3-10-8-15(6-4-12(10)14)11(7-13)9-16/h10-12,16H,2-9,13H2,1H3
InChIKeyHTHLNTLQKRTCBG-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.28
Rot. Bonds3

About 3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol

3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol (PubChem CID 104711109) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol
PubChem CID104711109
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol
SMILESCN1CCCC2CN(C(CN)CO)CCC21
InChIInChI=1S/C12H25N3O/c1-14-5-2-3-10-8-15(6-4-12(10)14)11(7-13)9-16/h10-12,16H,2-9,13H2,1H3
InChIKeyHTHLNTLQKRTCBG-UHFFFAOYSA-N
XLogP-0.28
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol (CID 104711109) is 3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol is CN1CCCC2CN(C(CN)CO)CCC21.
What is the InChIKey of 3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol?
The InChIKey is HTHLNTLQKRTCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-14-5-2-3-10-8-15(6-4-12(10)14)11(7-13)9-16/h10-12,16H,2-9,13H2,1H3.
What are the key properties of 3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol?
3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol has a molecular weight of 227.35 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol is sourced from PubChem (CID 104711109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).