N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine

C15H27N3 — CID 63886675

IUPACN-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine
SMILESCCCCN(CCCC)Cc1ccnc(CN)c1
InChIInChI=1S/C15H27N3/c1-3-5-9-18(10-6-4-2)13-14-7-8-17-15(11-14)12-16/h7-8,11H,3-6,9-10,12-13,16H2,1-2H3
InChIKeyZSZZQVKPZYWKKR-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.94
Rot. Bonds9

About N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine

N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine (PubChem CID 63886675) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine
PubChem CID63886675
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine
SMILESCCCCN(CCCC)Cc1ccnc(CN)c1
InChIInChI=1S/C15H27N3/c1-3-5-9-18(10-6-4-2)13-14-7-8-17-15(11-14)12-16/h7-8,11H,3-6,9-10,12-13,16H2,1-2H3
InChIKeyZSZZQVKPZYWKKR-UHFFFAOYSA-N
XLogP2.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethylpropan-1-amine
CID 63887251
4-[(dibutylamino)methyl]pyridine-2-carboxylic acid
CID 63880878
4-[[butyl(ethyl)amino]methyl]pyridine-2-carbothioamide
CID 63880501
2-(aminomethyl)-N,N-dibutylpyridin-4-amine
CID 62300849
N-butyl-N-[(4-hydrazinyl-2-pyridinyl)methyl]butan-1-amine
CID 79259739
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine
CID 63887449
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methylbutan-2-amine
CID 63887639
2-[[2-(aminomethyl)-4-pyridinyl]methyl-methylamino]ethanol
CID 63888237
2-[[2-(aminomethyl)-4-pyridinyl]methyl-ethylamino]-N-methylacetamide
CID 63887456
[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methanamine
CID 63887247
4-[(dibutylamino)methyl]aniline;dihydrochloride
CID 90478012
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine
CID 114011928

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine?
The IUPAC name of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine (CID 63886675) is N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine.
What is the SMILES notation for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine?
The canonical SMILES for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine is CCCCN(CCCC)Cc1ccnc(CN)c1.
What is the InChIKey of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine?
The InChIKey is ZSZZQVKPZYWKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-5-9-18(10-6-4-2)13-14-7-8-17-15(11-14)12-16/h7-8,11H,3-6,9-10,12-13,16H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine?
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine is sourced from PubChem (CID 63886675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).