N-butan-2-yl-N-butyl-3-(methylaminomethyl)pyridin-2-amine

C15H27N3 — CID 62287854

IUPACN-butan-2-yl-N-butyl-3-(methylaminomethyl)pyridin-2-amine
SMILESCCCCN(c1ncccc1CNC)C(C)CC
InChIInChI=1S/C15H27N3/c1-5-7-11-18(13(3)6-2)15-14(12-16-4)9-8-10-17-15/h8-10,13,16H,5-7,11-12H2,1-4H3
InChIKeyRRRZPVXPXUBSJD-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.21
Rot. Bonds8

About N-butan-2-yl-N-butyl-3-(methylaminomethyl)pyridin-2-amine

N-butan-2-yl-N-butyl-3-(methylaminomethyl)pyridin-2-amine (PubChem CID 62287854) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-3-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-3-(methylaminomethyl)pyridin-2-amine
PubChem CID62287854
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-butan-2-yl-N-butyl-3-(methylaminomethyl)pyridin-2-amine
SMILESCCCCN(c1ncccc1CNC)C(C)CC
InChIInChI=1S/C15H27N3/c1-5-7-11-18(13(3)6-2)15-14(12-16-4)9-8-10-17-15/h8-10,13,16H,5-7,11-12H2,1-4H3
InChIKeyRRRZPVXPXUBSJD-UHFFFAOYSA-N
XLogP3.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine
CID 105389718
N,N-dibutyl-3-(methylaminomethyl)pyridin-2-amine
CID 62279311
N-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)pyridin-2-amine
CID 62279569
N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine
CID 62294745
N-methyl-3-(methylaminomethyl)-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 62287960
N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105389714
N-butan-2-yl-N-butyl-4-methyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 83186165
N-butan-2-yl-N-butyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 113388169
N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine
CID 105383556
N-(2-methoxyethyl)-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62282007
5-[methyl-[3-(methylaminomethyl)-2-pyridinyl]amino]pentan-1-ol
CID 114057130
N-methyl-N-[[3-(methylaminomethyl)-2-pyridinyl]methyl]pentan-1-amine
CID 114198997

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-3-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of N-butan-2-yl-N-butyl-3-(methylaminomethyl)pyridin-2-amine (CID 62287854) is N-butan-2-yl-N-butyl-3-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-N-butyl-3-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-butan-2-yl-N-butyl-3-(methylaminomethyl)pyridin-2-amine is CCCCN(c1ncccc1CNC)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-3-(methylaminomethyl)pyridin-2-amine?
The InChIKey is RRRZPVXPXUBSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-7-11-18(13(3)6-2)15-14(12-16-4)9-8-10-17-15/h8-10,13,16H,5-7,11-12H2,1-4H3.
What are the key properties of N-butan-2-yl-N-butyl-3-(methylaminomethyl)pyridin-2-amine?
N-butan-2-yl-N-butyl-3-(methylaminomethyl)pyridin-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-3-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62287854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).