N-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine

C13H24N2 — CID 123537710

IUPACN-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine
SMILESCCCCN(CCC)C1=NC=CCC1C
InChIInChI=1S/C13H24N2/c1-4-6-11-15(10-5-2)13-12(3)8-7-9-14-13/h7,9,12H,4-6,8,10-11H2,1-3H3
InChIKeyJNMWSLCMXXKBSH-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.45
Rot. Bonds5

About N-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine

N-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine (PubChem CID 123537710) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound NameN-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine
PubChem CID123537710
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine
SMILESCCCCN(CCC)C1=NC=CCC1C
InChIInChI=1S/C13H24N2/c1-4-6-11-15(10-5-2)13-12(3)8-7-9-14-13/h7,9,12H,4-6,8,10-11H2,1-3H3
InChIKeyJNMWSLCMXXKBSH-UHFFFAOYSA-N
XLogP3.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-1-methyl-3a,4-dihydropyrrolo[2,3-b]pyridine
CID 130220586
N,N,3-triethyl-3H-azepin-2-amine
CID 85790497
N,N-diethyl-3-propan-2-yl-3H-azepin-2-amine
CID 85790498
1-(3,4-Dihydropyridin-2-yl)-4-methylpiperazine
CID 57261291
3,3-dimethyl-2-propyl-4H-pyrimidin-3-ium
CID 70223891
N,N-bis(prop-2-enyl)-3,4-dihydropyridin-2-amine
CID 70579189
N-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine
CID 91491983
N-ethenyl-N-ethyl-N',2-dimethylbutanimidamide
CID 118519253
N'-but-1-enyl-N-butyl-N-methylethanimidamide
CID 123895048
N-methyl-N-(3-methylbutyl)-N'-[(E)-2-methylpent-1-enyl]ethanimidamide
CID 131999138
2-methyl-N-[(1E)-2-methylbuta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)butan-1-imine
CID 135234672
9-methyl-8,9-dihydro-4H-pyrido[1,2-a]pyrimidine
CID 135245105

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine?
The IUPAC name of N-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine (CID 123537710) is N-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine.
What is the SMILES notation for N-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine?
The canonical SMILES for N-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine is CCCCN(CCC)C1=NC=CCC1C.
What is the InChIKey of N-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine?
The InChIKey is JNMWSLCMXXKBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-6-11-15(10-5-2)13-12(3)8-7-9-14-13/h7,9,12H,4-6,8,10-11H2,1-3H3.
What are the key properties of N-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine?
N-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine has a molecular weight of 208.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 123537710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).