1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine

C18H23N3 — CID 114699033

IUPAC1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
SMILESCc1cnccc1CNCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C18H23N3/c1-14-11-19-8-7-17(14)13-20-12-15-5-6-18-16(10-15)4-3-9-21(18)2/h5-8,10-11,20H,3-4,9,12-13H2,1-2H3
InChIKeyOZHXUAZYUIEFMI-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.06
Rot. Bonds4

About 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine

1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine (PubChem CID 114699033) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
PubChem CID114699033
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
SMILESCc1cnccc1CNCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C18H23N3/c1-14-11-19-8-7-17(14)13-20-12-15-5-6-18-16(10-15)4-3-9-21(18)2/h5-8,10-11,20H,3-4,9,12-13H2,1-2H3
InChIKeyOZHXUAZYUIEFMI-UHFFFAOYSA-N
XLogP3.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 62066674
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392909
N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine
CID 62072227
1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698678
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
CID 78983738
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 62096870
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine
CID 62072231
N-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 114698730
1-methyl-3,4-dihydro-2H-1,6-naphthyridine
CID 45079501
3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904608
N,N,2,2-tetramethyl-N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propane-1,3-diamine
CID 62096477
N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine
CID 62094966

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine (CID 114699033) is 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine is Cc1cnccc1CNCc1ccc2c(c1)CCCN2C.
What is the InChIKey of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine?
The InChIKey is OZHXUAZYUIEFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14-11-19-8-7-17(14)13-20-12-15-5-6-18-16(10-15)4-3-9-21(18)2/h5-8,10-11,20H,3-4,9,12-13H2,1-2H3.
What are the key properties of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine?
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine has a molecular weight of 281.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine is sourced from PubChem (CID 114699033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).