3-[4-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylpropan-1-amine

C11H23N3 — CID 117003398

IUPAC3-[4-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CC=C(CN)CC1
InChIInChI=1S/C11H23N3/c1-13(2)6-3-7-14-8-4-11(10-12)5-9-14/h4H,3,5-10,12H2,1-2H3
InChIKeyCPVYRLRFGBKYHI-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.53
Rot. Bonds5

About 3-[4-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylpropan-1-amine

3-[4-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 117003398) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID117003398
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name3-[4-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CC=C(CN)CC1
InChIInChI=1S/C11H23N3/c1-13(2)6-3-7-14-8-4-11(10-12)5-9-14/h4H,3,5-10,12H2,1-2H3
InChIKeyCPVYRLRFGBKYHI-UHFFFAOYSA-N
XLogP0.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylpropan-1-amine (CID 117003398) is 3-[4-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCN1CC=C(CN)CC1.
What is the InChIKey of 3-[4-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is CPVYRLRFGBKYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-13(2)6-3-7-14-8-4-11(10-12)5-9-14/h4H,3,5-10,12H2,1-2H3.
What are the key properties of 3-[4-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylpropan-1-amine?
3-[4-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 197.33 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 117003398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).