[3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine

C18H29N3 — CID 114478897

IUPAC[3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
SMILESCc1cc(CN)ccc1CN1CCC2C(CCCN2C)C1
InChIInChI=1S/C18H29N3/c1-14-10-15(11-19)5-6-16(14)12-21-9-7-18-17(13-21)4-3-8-20(18)2/h5-6,10,17-18H,3-4,7-9,11-13,19H2,1-2H3
InChIKeyNNZYCBIDLOLPTL-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.37
Rot. Bonds3

About [3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine

[3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine (PubChem CID 114478897) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is [3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
PubChem CID114478897
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name[3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
SMILESCc1cc(CN)ccc1CN1CCC2C(CCCN2C)C1
InChIInChI=1S/C18H29N3/c1-14-10-15(11-19)5-6-16(14)12-21-9-7-18-17(13-21)4-3-8-20(18)2/h5-6,10,17-18H,3-4,7-9,11-13,19H2,1-2H3
InChIKeyNNZYCBIDLOLPTL-UHFFFAOYSA-N
XLogP2.37
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
CID 81199439
3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]benzonitrile
CID 114481273
[3-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]furan-2-yl]methanamine
CID 81205816
[4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine
CID 114478616
2-[2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]ethanamine
CID 81200394
[1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol
CID 114478921
[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 114478531
2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol
CID 107227286
4-bromo-2-methyl-6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenol
CID 115904024
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
2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]benzoic acid
CID 81199224
2-methoxy-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]aniline
CID 81199147

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine (CID 114478897) is [3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine is Cc1cc(CN)ccc1CN1CCC2C(CCCN2C)C1.
What is the InChIKey of [3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine?
The InChIKey is NNZYCBIDLOLPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14-10-15(11-19)5-6-16(14)12-21-9-7-18-17(13-21)4-3-8-20(18)2/h5-6,10,17-18H,3-4,7-9,11-13,19H2,1-2H3.
What are the key properties of [3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine?
[3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine has a molecular weight of 287.45 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 114478897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).