1-(1,5-dimethyl-3-propyl-2H-pyridin-6-yl)propan-1-amine

C13H24N2 — CID 123813785

IUPAC1-(1,5-dimethyl-3-propyl-2H-pyridin-6-yl)propan-1-amine
SMILESCCCC1=CC(C)=C(C(N)CC)N(C)C1
InChIInChI=1S/C13H24N2/c1-5-7-11-8-10(3)13(12(14)6-2)15(4)9-11/h8,12H,5-7,9,14H2,1-4H3
InChIKeyLFMNZUXUOOJUQB-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.67
Rot. Bonds4

About 1-(1,5-dimethyl-3-propyl-2H-pyridin-6-yl)propan-1-amine

1-(1,5-dimethyl-3-propyl-2H-pyridin-6-yl)propan-1-amine (PubChem CID 123813785) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-(1,5-dimethyl-3-propyl-2H-pyridin-6-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1,5-dimethyl-3-propyl-2H-pyridin-6-yl)propan-1-amine
PubChem CID123813785
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-(1,5-dimethyl-3-propyl-2H-pyridin-6-yl)propan-1-amine
SMILESCCCC1=CC(C)=C(C(N)CC)N(C)C1
InChIInChI=1S/C13H24N2/c1-5-7-11-8-10(3)13(12(14)6-2)15(4)9-11/h8,12H,5-7,9,14H2,1-4H3
InChIKeyLFMNZUXUOOJUQB-UHFFFAOYSA-N
XLogP2.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71758631
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CID 135269419
(1Z,3E)-1-[1-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-2-yl]-2H-pyridin-2-yl]-3-(trifluoromethyl)penta-1,3-dien-1-amine
CID 138626042
6-(4-fluorocyclohexa-1,3-dien-1-yl)-2,3,3-trimethyl-2,4-dihydro-1H-pyrazine
CID 139525633
(2Z,4Z)-9-(2-fluoro-2-methylpropyl)-6-methylidene-1,7,8,10-tetrahydropyrido[3,4-b]azocine
CID 154987711
5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridin-3-amine
CID 169033605
(3E)-3-fluoro-6,10-dimethyl-7-methylidene-1,2,8,9,10,11-hexahydropyrido[4,3-b]azonine
CID 173839709
N-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 174362793
1-(2-Fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
CID 176552600
1-N-(2-aminobutyl)-4-fluoro-3-[(Z)-prop-1-enyl]cyclohexa-2,6-diene-1,2-diamine
CID 143686560
(7Z,9E)-9-fluoro-1,2,12-trimethyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-diazacyclododeca-5,7,9-triene
CID 153380018
4-[(4-Ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
CID 58111088

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethyl-3-propyl-2H-pyridin-6-yl)propan-1-amine?
The IUPAC name of 1-(1,5-dimethyl-3-propyl-2H-pyridin-6-yl)propan-1-amine (CID 123813785) is 1-(1,5-dimethyl-3-propyl-2H-pyridin-6-yl)propan-1-amine.
What is the SMILES notation for 1-(1,5-dimethyl-3-propyl-2H-pyridin-6-yl)propan-1-amine?
The canonical SMILES for 1-(1,5-dimethyl-3-propyl-2H-pyridin-6-yl)propan-1-amine is CCCC1=CC(C)=C(C(N)CC)N(C)C1.
What is the InChIKey of 1-(1,5-dimethyl-3-propyl-2H-pyridin-6-yl)propan-1-amine?
The InChIKey is LFMNZUXUOOJUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-7-11-8-10(3)13(12(14)6-2)15(4)9-11/h8,12H,5-7,9,14H2,1-4H3.
What are the key properties of 1-(1,5-dimethyl-3-propyl-2H-pyridin-6-yl)propan-1-amine?
1-(1,5-dimethyl-3-propyl-2H-pyridin-6-yl)propan-1-amine has a molecular weight of 208.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethyl-3-propyl-2H-pyridin-6-yl)propan-1-amine is sourced from PubChem (CID 123813785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).