4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine

C14H28N2 — CID 114413207

IUPAC4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC1=CCN(CCCCNCC(C)C)CC1
InChIInChI=1S/C14H28N2/c1-13(2)12-15-8-4-5-9-16-10-6-14(3)7-11-16/h6,13,15H,4-5,7-12H2,1-3H3
InChIKeyDHTZJMYWWYRFJM-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds7

About 4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine

4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 114413207) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine
PubChem CID114413207
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC1=CCN(CCCCNCC(C)C)CC1
InChIInChI=1S/C14H28N2/c1-13(2)12-15-8-4-5-9-16-10-6-14(3)7-11-16/h6,13,15H,4-5,7-12H2,1-3H3
InChIKeyDHTZJMYWWYRFJM-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.66
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

N-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine
CID 114413349
N-(2-methylpropyl)-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 114490623
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 55070080
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62424621
N-(2-methylpropyl)-4-piperidin-1-ylbutan-1-amine
CID 62425413
N-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
CID 114410849
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine
CID 55069879
5-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62438364
5-(4,4-dimethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62930484
2-methyl-N-[[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114413319
2-methyl-N-[[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114413247
N-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 104694198

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine (CID 114413207) is 4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine is CC1=CCN(CCCCNCC(C)C)CC1.
What is the InChIKey of 4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is DHTZJMYWWYRFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(2)12-15-8-4-5-9-16-10-6-14(3)7-11-16/h6,13,15H,4-5,7-12H2,1-3H3.
What are the key properties of 4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine?
4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 114413207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).