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

C15H30N2 — CID 114172712

IUPAC6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylhexan-1-amine
SMILESCC1=CCCN(CCCCCCNC(C)C)C1
InChIInChI=1S/C15H30N2/c1-14(2)16-10-6-4-5-7-11-17-12-8-9-15(3)13-17/h9,14,16H,4-8,10-13H2,1-3H3
InChIKeyZZZICFGHCRMGAG-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.20
Rot. Bonds8

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

6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylhexan-1-amine (PubChem CID 114172712) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylhexan-1-amine
PubChem CID114172712
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylhexan-1-amine
SMILESCC1=CCCN(CCCCCCNC(C)C)C1
InChIInChI=1S/C15H30N2/c1-14(2)16-10-6-4-5-7-11-17-12-8-9-15(3)13-17/h9,14,16H,4-8,10-13H2,1-3H3
InChIKeyZZZICFGHCRMGAG-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.20
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

5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpentan-1-amine
CID 106316734
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
7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine
CID 106315033
6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-amine
CID 106314964
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 6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylhexan-1-amine?
The IUPAC name of 6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylhexan-1-amine (CID 114172712) is 6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylhexan-1-amine is CC1=CCCN(CCCCCCNC(C)C)C1.
What is the InChIKey of 6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylhexan-1-amine?
The InChIKey is ZZZICFGHCRMGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-14(2)16-10-6-4-5-7-11-17-12-8-9-15(3)13-17/h9,14,16H,4-8,10-13H2,1-3H3.
What are the key properties of 6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylhexan-1-amine?
6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylhexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 114172712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).