1-[2-(aminomethyl)-4-pyridinyl]butan-2-amine

C10H17N3 — CID 170890841

IUPAC1-[2-(aminomethyl)-4-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccnc(CN)c1
InChIInChI=1S/C10H17N3/c1-2-9(12)5-8-3-4-13-10(6-8)7-11/h3-4,6,9H,2,5,7,11-12H2,1H3
InChIKeyUGEDXHGEFZIUAV-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.82
Rot. Bonds4

About 1-[2-(aminomethyl)-4-pyridinyl]butan-2-amine

1-[2-(aminomethyl)-4-pyridinyl]butan-2-amine (PubChem CID 170890841) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-pyridinyl]butan-2-amine
PubChem CID170890841
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-[2-(aminomethyl)-4-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccnc(CN)c1
InChIInChI=1S/C10H17N3/c1-2-9(12)5-8-3-4-13-10(6-8)7-11/h3-4,6,9H,2,5,7,11-12H2,1H3
InChIKeyUGEDXHGEFZIUAV-UHFFFAOYSA-N
XLogP0.82
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methylbutan-2-amine
CID 63887639
1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine
CID 60907126
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
1-[5-(aminomethyl)-3-pyridinyl]butan-2-amine
CID 170890843
2-ethyl-4-(2-methylpropyl)pyridine
CID 90794113
1-[2-(aminomethyl)-4-pyridinyl]ethanamine
CID 142264810
1-[3-bromo-4-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine
CID 63051166
[2-(2,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride
CID 70982379
1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine
CID 55113743
(2-ethyl-4-pyridinyl)methanamine;hydrochloride
CID 138109972
[4-(propoxymethyl)-2-pyridinyl]methanamine
CID 63887669
[4-(propylsulfanylmethyl)-2-pyridinyl]methanamine
CID 63881301

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-pyridinyl]butan-2-amine?
The IUPAC name of 1-[2-(aminomethyl)-4-pyridinyl]butan-2-amine (CID 170890841) is 1-[2-(aminomethyl)-4-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[2-(aminomethyl)-4-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[2-(aminomethyl)-4-pyridinyl]butan-2-amine is CCC(N)Cc1ccnc(CN)c1.
What is the InChIKey of 1-[2-(aminomethyl)-4-pyridinyl]butan-2-amine?
The InChIKey is UGEDXHGEFZIUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-9(12)5-8-3-4-13-10(6-8)7-11/h3-4,6,9H,2,5,7,11-12H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-4-pyridinyl]butan-2-amine?
1-[2-(aminomethyl)-4-pyridinyl]butan-2-amine has a molecular weight of 179.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-pyridinyl]butan-2-amine is sourced from PubChem (CID 170890841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).