2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-N-propylpropan-1-amine

C19H30N2 — CID 106316650

IUPAC2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1ccc(CN2CCC=C(C)C2)cc1
InChIInChI=1S/C19H30N2/c1-4-11-20-13-17(3)19-9-7-18(8-10-19)15-21-12-5-6-16(2)14-21/h6-10,17,20H,4-5,11-15H2,1-3H3
InChIKeyGYRVVARECDNEJS-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.94
Rot. Bonds7

About 2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-N-propylpropan-1-amine

2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-N-propylpropan-1-amine (PubChem CID 106316650) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-N-propylpropan-1-amine
PubChem CID106316650
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1ccc(CN2CCC=C(C)C2)cc1
InChIInChI=1S/C19H30N2/c1-4-11-20-13-17(3)19-9-7-18(8-10-19)15-21-12-5-6-16(2)14-21/h6-10,17,20H,4-5,11-15H2,1-3H3
InChIKeyGYRVVARECDNEJS-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-N-propylpropan-1-amine
CID 105348426
N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 106316636
N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine
CID 105347096
N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine
CID 105346894
N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine
CID 105346333
N-ethyl-2-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 106314882
4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline
CID 106314952
N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
CID 105346444
N-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine
CID 105347715
2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349563
2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349891
2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)phenyl]-N-ethylpropan-1-amine
CID 105348050

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-N-propylpropan-1-amine?
The IUPAC name of 2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-N-propylpropan-1-amine (CID 106316650) is 2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-N-propylpropan-1-amine is CCCNCC(C)c1ccc(CN2CCC=C(C)C2)cc1.
What is the InChIKey of 2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-N-propylpropan-1-amine?
The InChIKey is GYRVVARECDNEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-4-11-20-13-17(3)19-9-7-18(8-10-19)15-21-12-5-6-16(2)14-21/h6-10,17,20H,4-5,11-15H2,1-3H3.
What are the key properties of 2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-N-propylpropan-1-amine?
2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-N-propylpropan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 106316650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).