1-[5-(aminomethyl)-3-pyridinyl]butan-2-amine

C10H17N3 — CID 170890843

IUPAC1-[5-(aminomethyl)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cncc(CN)c1
InChIInChI=1S/C10H17N3/c1-2-10(12)4-8-3-9(5-11)7-13-6-8/h3,6-7,10H,2,4-5,11-12H2,1H3
InChIKeyGXHAKCXVVVTMKD-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.82
Rot. Bonds4

About 1-[5-(aminomethyl)-3-pyridinyl]butan-2-amine

1-[5-(aminomethyl)-3-pyridinyl]butan-2-amine (PubChem CID 170890843) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-[5-(aminomethyl)-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-(aminomethyl)-3-pyridinyl]butan-2-amine
PubChem CID170890843
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-[5-(aminomethyl)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cncc(CN)c1
InChIInChI=1S/C10H17N3/c1-2-10(12)4-8-3-9(5-11)7-13-6-8/h3,6-7,10H,2,4-5,11-12H2,1H3
InChIKeyGXHAKCXVVVTMKD-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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Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[5-(aminomethyl)-3-pyridinyl]butan-2-amine (CID 170890843) is 1-[5-(aminomethyl)-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[5-(aminomethyl)-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[5-(aminomethyl)-3-pyridinyl]butan-2-amine is CCC(N)Cc1cncc(CN)c1.
What is the InChIKey of 1-[5-(aminomethyl)-3-pyridinyl]butan-2-amine?
The InChIKey is GXHAKCXVVVTMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-10(12)4-8-3-9(5-11)7-13-6-8/h3,6-7,10H,2,4-5,11-12H2,1H3.
What are the key properties of 1-[5-(aminomethyl)-3-pyridinyl]butan-2-amine?
1-[5-(aminomethyl)-3-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-[5-(aminomethyl)-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 170890843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).