3-(2-aminobutyl)-N-ethyl-N-(2-methylpropyl)pyridin-2-amine

C15H27N3 — CID 114057368

IUPAC3-(2-aminobutyl)-N-ethyl-N-(2-methylpropyl)pyridin-2-amine
SMILESCCC(N)Cc1cccnc1N(CC)CC(C)C
InChIInChI=1S/C15H27N3/c1-5-14(16)10-13-8-7-9-17-15(13)18(6-2)11-12(3)4/h7-9,12,14H,5-6,10-11,16H2,1-4H3
InChIKeyRCJZKZHUNBUXOT-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.84
Rot. Bonds7

About 3-(2-aminobutyl)-N-ethyl-N-(2-methylpropyl)pyridin-2-amine

3-(2-aminobutyl)-N-ethyl-N-(2-methylpropyl)pyridin-2-amine (PubChem CID 114057368) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-(2-aminobutyl)-N-ethyl-N-(2-methylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(2-aminobutyl)-N-ethyl-N-(2-methylpropyl)pyridin-2-amine
PubChem CID114057368
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-(2-aminobutyl)-N-ethyl-N-(2-methylpropyl)pyridin-2-amine
SMILESCCC(N)Cc1cccnc1N(CC)CC(C)C
InChIInChI=1S/C15H27N3/c1-5-14(16)10-13-8-7-9-17-15(13)18(6-2)11-12(3)4/h7-9,12,14H,5-6,10-11,16H2,1-4H3
InChIKeyRCJZKZHUNBUXOT-UHFFFAOYSA-N
XLogP2.84
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 43273948
N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62283165
1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride
CID 170889228
3-N-ethyl-3-N-(2-methylpropyl)pyrazine-2,3-diamine
CID 102985415
3-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
CID 79484086
N'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62282134
3-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 62283336
1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol
CID 114056156
1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine
CID 66410879
3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine
CID 107871204
4-(aminomethyl)-N-ethyl-N-(2-methylpropyl)isoquinolin-1-amine
CID 106775131
2-(2-aminobutyl)-N-butyl-N-ethylaniline
CID 63785761

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminobutyl)-N-ethyl-N-(2-methylpropyl)pyridin-2-amine?
The IUPAC name of 3-(2-aminobutyl)-N-ethyl-N-(2-methylpropyl)pyridin-2-amine (CID 114057368) is 3-(2-aminobutyl)-N-ethyl-N-(2-methylpropyl)pyridin-2-amine.
What is the SMILES notation for 3-(2-aminobutyl)-N-ethyl-N-(2-methylpropyl)pyridin-2-amine?
The canonical SMILES for 3-(2-aminobutyl)-N-ethyl-N-(2-methylpropyl)pyridin-2-amine is CCC(N)Cc1cccnc1N(CC)CC(C)C.
What is the InChIKey of 3-(2-aminobutyl)-N-ethyl-N-(2-methylpropyl)pyridin-2-amine?
The InChIKey is RCJZKZHUNBUXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-14(16)10-13-8-7-9-17-15(13)18(6-2)11-12(3)4/h7-9,12,14H,5-6,10-11,16H2,1-4H3.
What are the key properties of 3-(2-aminobutyl)-N-ethyl-N-(2-methylpropyl)pyridin-2-amine?
3-(2-aminobutyl)-N-ethyl-N-(2-methylpropyl)pyridin-2-amine has a molecular weight of 249.40 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminobutyl)-N-ethyl-N-(2-methylpropyl)pyridin-2-amine is sourced from PubChem (CID 114057368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).