1-[(3aR,6aS)-2-(2-methylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethenamine

C14H26N2 — CID 142563608

IUPAC1-[(3aR,6aS)-2-(2-methylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethenamine
SMILESC=C(N)C1C[C@@H]2CN(CC(C)CC)C[C@@H]2C1
InChIInChI=1S/C14H26N2/c1-4-10(2)7-16-8-13-5-12(11(3)15)6-14(13)9-16/h10,12-14H,3-9,15H2,1-2H3/t10?,12?,13-,14+
InChIKeyXHZGFOFXBLVXKT-SPJWRBLHSA-N
MW222.38 g/mol
LogP2.46
Rot. Bonds4

About 1-[(3aR,6aS)-2-(2-methylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethenamine

1-[(3aR,6aS)-2-(2-methylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethenamine (PubChem CID 142563608) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-[(3aR,6aS)-2-(2-methylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethenamine.

Molecular Properties

Compound Name1-[(3aR,6aS)-2-(2-methylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethenamine
PubChem CID142563608
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-[(3aR,6aS)-2-(2-methylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethenamine
SMILESC=C(N)C1C[C@@H]2CN(CC(C)CC)C[C@@H]2C1
InChIInChI=1S/C14H26N2/c1-4-10(2)7-16-8-13-5-12(11(3)15)6-14(13)9-16/h10,12-14H,3-9,15H2,1-2H3/t10?,12?,13-,14+
InChIKeyXHZGFOFXBLVXKT-SPJWRBLHSA-N
XLogP2.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3aR,6aS)-2-(2-methylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-(2-methylbutyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 130987557
(4aS,7aS)-6-(2-methylbutyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102670935
3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)pentan-1-ol
CID 144714373
3-methylhexane;2-methylprop-1-ene
CID 165405684
5-(2-methylbutyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 130578117
1-(2-methylbutyl)piperidine-4-carboxylic acid
CID 62104958
1-(2-methylbutyl)azocan-5-amine
CID 138578354
3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol
CID 104550305
1-(2-methylbutyl)-4-(3-methylpentyl)piperidine
CID 166678927
2-methylbutyl 2-methylidenebutanoate
CID 57090354
1-methyl-4-[(2S)-2-methylbutyl]piperazine
CID 130224614
ethane;2-methylhexane;3-pyrrolidin-1-ylprop-1-en-2-amine
CID 170569168

Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,6aS)-2-(2-methylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethenamine?
The IUPAC name of 1-[(3aR,6aS)-2-(2-methylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethenamine (CID 142563608) is 1-[(3aR,6aS)-2-(2-methylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethenamine.
What is the SMILES notation for 1-[(3aR,6aS)-2-(2-methylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethenamine?
The canonical SMILES for 1-[(3aR,6aS)-2-(2-methylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethenamine is C=C(N)C1C[C@@H]2CN(CC(C)CC)C[C@@H]2C1.
What is the InChIKey of 1-[(3aR,6aS)-2-(2-methylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethenamine?
The InChIKey is XHZGFOFXBLVXKT-SPJWRBLHSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-10(2)7-16-8-13-5-12(11(3)15)6-14(13)9-16/h10,12-14H,3-9,15H2,1-2H3/t10?,12?,13-,14+.
What are the key properties of 1-[(3aR,6aS)-2-(2-methylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethenamine?
1-[(3aR,6aS)-2-(2-methylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethenamine has a molecular weight of 222.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,6aS)-2-(2-methylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethenamine is sourced from PubChem (CID 142563608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).