(Z)-N,4-dimethyl-2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-en-1-amine

C15H29N3 — CID 176569702

IUPAC(Z)-N,4-dimethyl-2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-en-1-amine
SMILESCNC/C(=C\C(C)C)C1CNC2NCC(C)CC21
InChIInChI=1S/C15H29N3/c1-10(2)5-12(8-16-4)14-9-18-15-13(14)6-11(3)7-17-15/h5,10-11,13-18H,6-9H2,1-4H3/b12-5+
InChIKeyYZIYBUHGYPEWMH-LFYBBSHMSA-N
MW251.42 g/mol
LogP1.58
Rot. Bonds4

About (Z)-N,4-dimethyl-2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-en-1-amine

(Z)-N,4-dimethyl-2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-en-1-amine (PubChem CID 176569702) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is (Z)-N,4-dimethyl-2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N,4-dimethyl-2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-en-1-amine
PubChem CID176569702
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name(Z)-N,4-dimethyl-2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-en-1-amine
SMILESCNC/C(=C\C(C)C)C1CNC2NCC(C)CC21
InChIInChI=1S/C15H29N3/c1-10(2)5-12(8-16-4)14-9-18-15-13(14)6-11(3)7-17-15/h5,10-11,13-18H,6-9H2,1-4H3/b12-5+
InChIKeyYZIYBUHGYPEWMH-LFYBBSHMSA-N
XLogP1.58
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N,4-dimethyl-2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-en-1-amine with MolForge

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Related Compounds

2,4-difluoro-5-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylidenecyclohexa-2,4-dien-1-amine
CID 163646793
1-(2,3,3a,4,5,6-hexahydro-1H-isoindol-4-yl)-N-methylmethanamine
CID 19069748
N-(2,3,3a,4,5,6-hexahydro-1H-isoindol-4-ylmethyl)ethanamine
CID 19069765
N-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-amine
CID 19379784
5-[(E)-4-ethenyl-5-methyloct-2-en-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 89098721
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)but-3-en-1-amine
CID 89270691
2,3,3a,4,5,6-hexahydro-1H-isoindol-1-amine
CID 129715653
4-N,4-N',6,7-tetramethyl-1,2,3,3a,7,7a-hexahydroisoindole-4,4-diamine
CID 139617172
7-cyclohept-3-en-1-yl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-b]pyridin-2-amine
CID 141881231
6-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569091
3-[(3R)-3-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569151
6-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569165

Frequently Asked Questions

What is the IUPAC name of (Z)-N,4-dimethyl-2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-en-1-amine?
The IUPAC name of (Z)-N,4-dimethyl-2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-en-1-amine (CID 176569702) is (Z)-N,4-dimethyl-2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-en-1-amine.
What is the SMILES notation for (Z)-N,4-dimethyl-2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-en-1-amine?
The canonical SMILES for (Z)-N,4-dimethyl-2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-en-1-amine is CNC/C(=C\C(C)C)C1CNC2NCC(C)CC21.
What is the InChIKey of (Z)-N,4-dimethyl-2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-en-1-amine?
The InChIKey is YZIYBUHGYPEWMH-LFYBBSHMSA-N. The full InChI is InChI=1S/C15H29N3/c1-10(2)5-12(8-16-4)14-9-18-15-13(14)6-11(3)7-17-15/h5,10-11,13-18H,6-9H2,1-4H3/b12-5+.
What are the key properties of (Z)-N,4-dimethyl-2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-en-1-amine?
(Z)-N,4-dimethyl-2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-en-1-amine has a molecular weight of 251.42 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,4-dimethyl-2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-en-1-amine is sourced from PubChem (CID 176569702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).