N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]prop-2-en-1-amine

C14H27N3 — CID 103071089

IUPACN-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC)CN1CCC2C(CCCN2C)C1
InChIInChI=1S/C14H27N3/c1-12(9-15-2)10-17-8-6-14-13(11-17)5-4-7-16(14)3/h13-15H,1,4-11H2,2-3H3
InChIKeyCNRURHXOGVMFAX-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.18
Rot. Bonds4

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

N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]prop-2-en-1-amine (PubChem CID 103071089) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]prop-2-en-1-amine
PubChem CID103071089
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC)CN1CCC2C(CCCN2C)C1
InChIInChI=1S/C14H27N3/c1-12(9-15-2)10-17-8-6-14-13(11-17)5-4-7-16(14)3/h13-15H,1,4-11H2,2-3H3
InChIKeyCNRURHXOGVMFAX-UHFFFAOYSA-N
XLogP1.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]prop-2-en-1-amine with MolForge

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Related Compounds

2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(methylamino)propanenitrile
CID 81199089
N,2-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]butan-1-amine
CID 81200343
N-methyl-2-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine
CID 103068801
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-piperazin-1-ylethanone
CID 81199974
N-methyl-1-[4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
CID 81194985
5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-2-ol
CID 81198653
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide
CID 81198649
2-methyl-N-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethyl]propan-2-amine
CID 81197694
N-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-2-amine
CID 81199952
N-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]cyclopropanamine
CID 81198729
5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentanoic acid
CID 81200094
4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol
CID 81200552

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]prop-2-en-1-amine (CID 103071089) is N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]prop-2-en-1-amine is C=C(CNC)CN1CCC2C(CCCN2C)C1.
What is the InChIKey of N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]prop-2-en-1-amine?
The InChIKey is CNRURHXOGVMFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-12(9-15-2)10-17-8-6-14-13(11-17)5-4-7-16(14)3/h13-15H,1,4-11H2,2-3H3.
What are the key properties of N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]prop-2-en-1-amine?
N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]prop-2-en-1-amine has a molecular weight of 237.39 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103071089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).