2-[(heptan-2-ylamino)methyl]pyridin-3-amine

C13H23N3 — CID 104739927

IUPAC2-[(heptan-2-ylamino)methyl]pyridin-3-amine
SMILESCCCCCC(C)NCc1ncccc1N
InChIInChI=1S/C13H23N3/c1-3-4-5-7-11(2)16-10-13-12(14)8-6-9-15-13/h6,8-9,11,16H,3-5,7,10,14H2,1-2H3
InChIKeyKWBLKPOVPPIQRW-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.72
Rot. Bonds7

About 2-[(heptan-2-ylamino)methyl]pyridin-3-amine

2-[(heptan-2-ylamino)methyl]pyridin-3-amine (PubChem CID 104739927) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-[(heptan-2-ylamino)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(heptan-2-ylamino)methyl]pyridin-3-amine
PubChem CID104739927
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-[(heptan-2-ylamino)methyl]pyridin-3-amine
SMILESCCCCCC(C)NCc1ncccc1N
InChIInChI=1S/C13H23N3/c1-3-4-5-7-11(2)16-10-13-12(14)8-6-9-15-13/h6,8-9,11,16H,3-5,7,10,14H2,1-2H3
InChIKeyKWBLKPOVPPIQRW-UHFFFAOYSA-N
XLogP2.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(heptan-2-ylamino)methyl]pyridin-3-amine?
The IUPAC name of 2-[(heptan-2-ylamino)methyl]pyridin-3-amine (CID 104739927) is 2-[(heptan-2-ylamino)methyl]pyridin-3-amine.
What is the SMILES notation for 2-[(heptan-2-ylamino)methyl]pyridin-3-amine?
The canonical SMILES for 2-[(heptan-2-ylamino)methyl]pyridin-3-amine is CCCCCC(C)NCc1ncccc1N.
What is the InChIKey of 2-[(heptan-2-ylamino)methyl]pyridin-3-amine?
The InChIKey is KWBLKPOVPPIQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-4-5-7-11(2)16-10-13-12(14)8-6-9-15-13/h6,8-9,11,16H,3-5,7,10,14H2,1-2H3.
What are the key properties of 2-[(heptan-2-ylamino)methyl]pyridin-3-amine?
2-[(heptan-2-ylamino)methyl]pyridin-3-amine has a molecular weight of 221.35 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(heptan-2-ylamino)methyl]pyridin-3-amine is sourced from PubChem (CID 104739927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).