N-[(5,6-dimethyl-2,3-dihydro-1H-pyridin-6-yl)methyl]propan-1-amine

C11H22N2 — CID 142227131

IUPACN-[(5,6-dimethyl-2,3-dihydro-1H-pyridin-6-yl)methyl]propan-1-amine
SMILESCCCNCC1(C)NCCC=C1C
InChIInChI=1S/C11H22N2/c1-4-7-12-9-11(3)10(2)6-5-8-13-11/h6,12-13H,4-5,7-9H2,1-3H3
InChIKeyBQMOATQKRFIUGU-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.68
Rot. Bonds4

About N-[(5,6-dimethyl-2,3-dihydro-1H-pyridin-6-yl)methyl]propan-1-amine

N-[(5,6-dimethyl-2,3-dihydro-1H-pyridin-6-yl)methyl]propan-1-amine (PubChem CID 142227131) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-[(5,6-dimethyl-2,3-dihydro-1H-pyridin-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5,6-dimethyl-2,3-dihydro-1H-pyridin-6-yl)methyl]propan-1-amine
PubChem CID142227131
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-[(5,6-dimethyl-2,3-dihydro-1H-pyridin-6-yl)methyl]propan-1-amine
SMILESCCCNCC1(C)NCCC=C1C
InChIInChI=1S/C11H22N2/c1-4-7-12-9-11(3)10(2)6-5-8-13-11/h6,12-13H,4-5,7-9H2,1-3H3
InChIKeyBQMOATQKRFIUGU-UHFFFAOYSA-N
XLogP1.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethyl-2,3-dihydro-1H-pyridin-6-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5,6-dimethyl-2,3-dihydro-1H-pyridin-6-yl)methyl]propan-1-amine (CID 142227131) is N-[(5,6-dimethyl-2,3-dihydro-1H-pyridin-6-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5,6-dimethyl-2,3-dihydro-1H-pyridin-6-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5,6-dimethyl-2,3-dihydro-1H-pyridin-6-yl)methyl]propan-1-amine is CCCNCC1(C)NCCC=C1C.
What is the InChIKey of N-[(5,6-dimethyl-2,3-dihydro-1H-pyridin-6-yl)methyl]propan-1-amine?
The InChIKey is BQMOATQKRFIUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-7-12-9-11(3)10(2)6-5-8-13-11/h6,12-13H,4-5,7-9H2,1-3H3.
What are the key properties of N-[(5,6-dimethyl-2,3-dihydro-1H-pyridin-6-yl)methyl]propan-1-amine?
N-[(5,6-dimethyl-2,3-dihydro-1H-pyridin-6-yl)methyl]propan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethyl-2,3-dihydro-1H-pyridin-6-yl)methyl]propan-1-amine is sourced from PubChem (CID 142227131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).