5-(aminomethyl)-N,1-dimethyl-3,6-dihydro-2H-pyridin-4-amine

C8H17N3 — CID 67589667

IUPAC5-(aminomethyl)-N,1-dimethyl-3,6-dihydro-2H-pyridin-4-amine
SMILESCNC1=C(CN)CN(C)CC1
InChIInChI=1S/C8H17N3/c1-10-8-3-4-11(2)6-7(8)5-9/h10H,3-6,9H2,1-2H3
InChIKeyACVNNRLSVMAYFV-UHFFFAOYSA-N
MW155.25 g/mol
LogP-0.25
Rot. Bonds2

About 5-(aminomethyl)-N,1-dimethyl-3,6-dihydro-2H-pyridin-4-amine

5-(aminomethyl)-N,1-dimethyl-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 67589667) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 5-(aminomethyl)-N,1-dimethyl-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N,1-dimethyl-3,6-dihydro-2H-pyridin-4-amine
PubChem CID67589667
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name5-(aminomethyl)-N,1-dimethyl-3,6-dihydro-2H-pyridin-4-amine
SMILESCNC1=C(CN)CN(C)CC1
InChIInChI=1S/C8H17N3/c1-10-8-3-4-11(2)6-7(8)5-9/h10H,3-6,9H2,1-2H3
InChIKeyACVNNRLSVMAYFV-UHFFFAOYSA-N
XLogP-0.25
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N,1-dimethyl-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of 5-(aminomethyl)-N,1-dimethyl-3,6-dihydro-2H-pyridin-4-amine (CID 67589667) is 5-(aminomethyl)-N,1-dimethyl-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-N,1-dimethyl-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for 5-(aminomethyl)-N,1-dimethyl-3,6-dihydro-2H-pyridin-4-amine is CNC1=C(CN)CN(C)CC1.
What is the InChIKey of 5-(aminomethyl)-N,1-dimethyl-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is ACVNNRLSVMAYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-10-8-3-4-11(2)6-7(8)5-9/h10H,3-6,9H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N,1-dimethyl-3,6-dihydro-2H-pyridin-4-amine?
5-(aminomethyl)-N,1-dimethyl-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 155.25 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,1-dimethyl-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 67589667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).