3-[4-(aminomethyl)hept-1-en-2-yl]-N,5-dimethyl-1,2,3,4-tetrahydropyridin-2-amine

C15H29N3 — CID 89270665

IUPAC3-[4-(aminomethyl)hept-1-en-2-yl]-N,5-dimethyl-1,2,3,4-tetrahydropyridin-2-amine
SMILESC=C(CC(CN)CCC)C1CC(C)=CNC1NC
InChIInChI=1S/C15H29N3/c1-5-6-13(9-16)8-12(3)14-7-11(2)10-18-15(14)17-4/h10,13-15,17-18H,3,5-9,16H2,1-2,4H3
InChIKeyPGTVKHBJUOVTNU-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.37
Rot. Bonds7

About 3-[4-(aminomethyl)hept-1-en-2-yl]-N,5-dimethyl-1,2,3,4-tetrahydropyridin-2-amine

3-[4-(aminomethyl)hept-1-en-2-yl]-N,5-dimethyl-1,2,3,4-tetrahydropyridin-2-amine (PubChem CID 89270665) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 3-[4-(aminomethyl)hept-1-en-2-yl]-N,5-dimethyl-1,2,3,4-tetrahydropyridin-2-amine.

Molecular Properties

Compound Name3-[4-(aminomethyl)hept-1-en-2-yl]-N,5-dimethyl-1,2,3,4-tetrahydropyridin-2-amine
PubChem CID89270665
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name3-[4-(aminomethyl)hept-1-en-2-yl]-N,5-dimethyl-1,2,3,4-tetrahydropyridin-2-amine
SMILESC=C(CC(CN)CCC)C1CC(C)=CNC1NC
InChIInChI=1S/C15H29N3/c1-5-6-13(9-16)8-12(3)14-7-11(2)10-18-15(14)17-4/h10,13-15,17-18H,3,5-9,16H2,1-2,4H3
InChIKeyPGTVKHBJUOVTNU-UHFFFAOYSA-N
XLogP2.37
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-(aminomethyl)hept-1-en-2-yl]-N,5-dimethyl-1,2,3,4-tetrahydropyridin-2-amine with MolForge

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Related Compounds

3-(2-methylpropyl)-4-propan-2-yl-2,3-dihydro-1H-pyrrole
CID 59142831
4-(2-methyl-4-propan-2-ylheptyl)-2,3-dihydro-1H-imidazole
CID 66660670
4-Pentyl-1,2,3,4-tetrahydropyridine
CID 67057692
4-(5-ethyl-3,6-dimethyloctan-4-yl)-2,3-dihydro-1H-pyrrole
CID 68330264
N',N'-dimethyl-N-(2-methyl-4-methylideneheptyl)methanediamine
CID 123198751
4-(1,4-dimethyl-3,4-dihydro-2H-pyridin-5-yl)-N,3-dimethylbutan-1-amine
CID 123336827
N,N,N',4-tetramethyl-2-propan-2-ylhex-1-ene-1,6-diamine
CID 123797265
(8R)-8-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline
CID 130182236
1-N'-(6-methyl-5-methylideneheptyl)ethene-1,1-diamine
CID 130280969
N,7-dimethyl-5-prop-1-en-2-yloctan-1-amine
CID 130371247
N-ethyl-5-(2-methylpropyl)-1,2,3,4-tetrahydropyridin-6-amine
CID 134341688
N-methyl-N'-(10-methyl-7-methylideneundecyl)methanediamine
CID 134368729

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)hept-1-en-2-yl]-N,5-dimethyl-1,2,3,4-tetrahydropyridin-2-amine?
The IUPAC name of 3-[4-(aminomethyl)hept-1-en-2-yl]-N,5-dimethyl-1,2,3,4-tetrahydropyridin-2-amine (CID 89270665) is 3-[4-(aminomethyl)hept-1-en-2-yl]-N,5-dimethyl-1,2,3,4-tetrahydropyridin-2-amine.
What is the SMILES notation for 3-[4-(aminomethyl)hept-1-en-2-yl]-N,5-dimethyl-1,2,3,4-tetrahydropyridin-2-amine?
The canonical SMILES for 3-[4-(aminomethyl)hept-1-en-2-yl]-N,5-dimethyl-1,2,3,4-tetrahydropyridin-2-amine is C=C(CC(CN)CCC)C1CC(C)=CNC1NC.
What is the InChIKey of 3-[4-(aminomethyl)hept-1-en-2-yl]-N,5-dimethyl-1,2,3,4-tetrahydropyridin-2-amine?
The InChIKey is PGTVKHBJUOVTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-6-13(9-16)8-12(3)14-7-11(2)10-18-15(14)17-4/h10,13-15,17-18H,3,5-9,16H2,1-2,4H3.
What are the key properties of 3-[4-(aminomethyl)hept-1-en-2-yl]-N,5-dimethyl-1,2,3,4-tetrahydropyridin-2-amine?
3-[4-(aminomethyl)hept-1-en-2-yl]-N,5-dimethyl-1,2,3,4-tetrahydropyridin-2-amine has a molecular weight of 251.42 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)hept-1-en-2-yl]-N,5-dimethyl-1,2,3,4-tetrahydropyridin-2-amine is sourced from PubChem (CID 89270665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).