N-methyl-1-[3-(methylideneamino)-4-pyridinyl]-1-naphthalen-1-ylmethanamine

C18H17N3 — CID 145243101

IUPACN-methyl-1-[3-(methylideneamino)-4-pyridinyl]-1-naphthalen-1-ylmethanamine
SMILESC=Nc1cnccc1C(NC)c1cccc2ccccc12
InChIInChI=1S/C18H17N3/c1-19-17-12-21-11-10-16(17)18(20-2)15-9-5-7-13-6-3-4-8-14(13)15/h3-12,18,20H,1H2,2H3
InChIKeyRBVRUFGAEGYISZ-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.88
Rot. Bonds4

About N-methyl-1-[3-(methylideneamino)-4-pyridinyl]-1-naphthalen-1-ylmethanamine

N-methyl-1-[3-(methylideneamino)-4-pyridinyl]-1-naphthalen-1-ylmethanamine (PubChem CID 145243101) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-methyl-1-[3-(methylideneamino)-4-pyridinyl]-1-naphthalen-1-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(methylideneamino)-4-pyridinyl]-1-naphthalen-1-ylmethanamine
PubChem CID145243101
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC NameN-methyl-1-[3-(methylideneamino)-4-pyridinyl]-1-naphthalen-1-ylmethanamine
SMILESC=Nc1cnccc1C(NC)c1cccc2ccccc12
InChIInChI=1S/C18H17N3/c1-19-17-12-21-11-10-16(17)18(20-2)15-9-5-7-13-6-3-4-8-14(13)15/h3-12,18,20H,1H2,2H3
InChIKeyRBVRUFGAEGYISZ-UHFFFAOYSA-N
XLogP3.88
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

10-(9-methylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;N-methyl-1-[3-(methylideneamino)-4-pyridinyl]-1-naphthalen-1-ylmethanamine
CID 145243100
N-methyl-1-naphthalen-1-yl-1-pyrazin-2-ylmethanamine
CID 62791384
1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine
CID 103136230
1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136785
N-methyl-1-(2-methylphenyl)-1-naphthalen-1-ylmethanamine
CID 62717419
1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137538
1-(3-bromo-2-fluorophenyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 107952904
1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine
CID 63938040
1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137911
1-(3,6-dimethylpyridazin-4-yl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 105143499
1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136902
1-(2,5-dichlorothiophen-3-yl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 107968230

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(methylideneamino)-4-pyridinyl]-1-naphthalen-1-ylmethanamine?
The IUPAC name of N-methyl-1-[3-(methylideneamino)-4-pyridinyl]-1-naphthalen-1-ylmethanamine (CID 145243101) is N-methyl-1-[3-(methylideneamino)-4-pyridinyl]-1-naphthalen-1-ylmethanamine.
What is the SMILES notation for N-methyl-1-[3-(methylideneamino)-4-pyridinyl]-1-naphthalen-1-ylmethanamine?
The canonical SMILES for N-methyl-1-[3-(methylideneamino)-4-pyridinyl]-1-naphthalen-1-ylmethanamine is C=Nc1cnccc1C(NC)c1cccc2ccccc12.
What is the InChIKey of N-methyl-1-[3-(methylideneamino)-4-pyridinyl]-1-naphthalen-1-ylmethanamine?
The InChIKey is RBVRUFGAEGYISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-19-17-12-21-11-10-16(17)18(20-2)15-9-5-7-13-6-3-4-8-14(13)15/h3-12,18,20H,1H2,2H3.
What are the key properties of N-methyl-1-[3-(methylideneamino)-4-pyridinyl]-1-naphthalen-1-ylmethanamine?
N-methyl-1-[3-(methylideneamino)-4-pyridinyl]-1-naphthalen-1-ylmethanamine has a molecular weight of 275.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(methylideneamino)-4-pyridinyl]-1-naphthalen-1-ylmethanamine is sourced from PubChem (CID 145243101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).