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

C14H28N2 — CID 106316734

IUPAC5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpentan-1-amine
SMILESCC1=CCCN(CCCCCNC(C)C)C1
InChIInChI=1S/C14H28N2/c1-13(2)15-9-5-4-6-10-16-11-7-8-14(3)12-16/h8,13,15H,4-7,9-12H2,1-3H3
InChIKeyAZNWERHPTQRINL-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.81
Rot. Bonds7

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

5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpentan-1-amine (PubChem CID 106316734) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpentan-1-amine
PubChem CID106316734
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpentan-1-amine
SMILESCC1=CCCN(CCCCCNC(C)C)C1
InChIInChI=1S/C14H28N2/c1-13(2)15-9-5-4-6-10-16-11-7-8-14(3)12-16/h8,13,15H,4-7,9-12H2,1-3H3
InChIKeyAZNWERHPTQRINL-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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

6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylhexan-1-amine
CID 114172712
5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine
CID 53316629
N-ethyl-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
CID 106316846
6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-amine
CID 106314964
7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine
CID 106315033
5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 62438503
4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 106315085
N-propan-2-yl-4-thiomorpholin-4-ylbutan-1-amine
CID 60851852
4-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 60851356
N,2-dimethyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 106315016
N,2-dimethyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine
CID 106314970
4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline
CID 106314952

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpentan-1-amine (CID 106316734) is 5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpentan-1-amine is CC1=CCCN(CCCCCNC(C)C)C1.
What is the InChIKey of 5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpentan-1-amine?
The InChIKey is AZNWERHPTQRINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(2)15-9-5-4-6-10-16-11-7-8-14(3)12-16/h8,13,15H,4-7,9-12H2,1-3H3.
What are the key properties of 5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpentan-1-amine?
5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpentan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 106316734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).