N-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)heptan-4-amine

C17H35N3 — CID 81199005

IUPACN-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)heptan-4-amine
SMILESCCCC(NC)C(CC)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C17H35N3/c1-5-8-15(18-3)16(6-2)20-12-10-17-14(13-20)9-7-11-19(17)4/h14-18H,5-13H2,1-4H3
InChIKeyXXLOBGVMZHXJQV-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds6

About N-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)heptan-4-amine

N-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)heptan-4-amine (PubChem CID 81199005) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)heptan-4-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)heptan-4-amine
PubChem CID81199005
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)heptan-4-amine
SMILESCCCC(NC)C(CC)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C17H35N3/c1-5-8-15(18-3)16(6-2)20-12-10-17-14(13-20)9-7-11-19(17)4/h14-18H,5-13H2,1-4H3
InChIKeyXXLOBGVMZHXJQV-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-amine
CID 81198022
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propylbutan-1-amine
CID 81206322
3-(4-tert-butylpiperidin-1-yl)-N-methylheptan-4-amine
CID 63468032
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanoic acid
CID 81199050
N,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine
CID 81206388
methyl 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexanoate
CID 115722973
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)octan-1-amine
CID 81198327
3-(4,4-dimethylazepan-1-yl)-N-methylheptan-4-amine
CID 65281323
3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol
CID 104711109
3-methoxy-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propan-2-ylpropan-1-amine
CID 103227037
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-(2-methylpropyl)pentan-1-amine
CID 81194990
N-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-2-amine
CID 81199952

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)heptan-4-amine?
The IUPAC name of N-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)heptan-4-amine (CID 81199005) is N-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)heptan-4-amine.
What is the SMILES notation for N-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)heptan-4-amine?
The canonical SMILES for N-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)heptan-4-amine is CCCC(NC)C(CC)N1CCC2C(CCCN2C)C1.
What is the InChIKey of N-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)heptan-4-amine?
The InChIKey is XXLOBGVMZHXJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-5-8-15(18-3)16(6-2)20-12-10-17-14(13-20)9-7-11-19(17)4/h14-18H,5-13H2,1-4H3.
What are the key properties of N-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)heptan-4-amine?
N-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)heptan-4-amine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)heptan-4-amine is sourced from PubChem (CID 81199005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).