N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-prop-2-enylpropan-2-amine

C14H26N2 — CID 102894696

IUPACN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-prop-2-enylpropan-2-amine
SMILESC=CCN(CC1NCC2CCCC21)C(C)C
InChIInChI=1S/C14H26N2/c1-4-8-16(11(2)3)10-14-13-7-5-6-12(13)9-15-14/h4,11-15H,1,5-10H2,2-3H3
InChIKeyZTTAEHPZKNWDEW-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.27
Rot. Bonds5

About N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-prop-2-enylpropan-2-amine

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-prop-2-enylpropan-2-amine (PubChem CID 102894696) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-prop-2-enylpropan-2-amine.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-prop-2-enylpropan-2-amine
PubChem CID102894696
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-prop-2-enylpropan-2-amine
SMILESC=CCN(CC1NCC2CCCC21)C(C)C
InChIInChI=1S/C14H26N2/c1-4-8-16(11(2)3)10-14-13-7-5-6-12(13)9-15-14/h4,11-15H,1,5-10H2,2-3H3
InChIKeyZTTAEHPZKNWDEW-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methylethanamine
CID 102894266
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-2-methylsulfonylethanamine
CID 102894643
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
CID 102894656
[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine
CID 66703870
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-butylcyclopropanamine
CID 102894360
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-ethylprop-2-yn-1-amine
CID 102894689
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 102894568
3-(fluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
CID 84718322
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,4-dimethylaniline
CID 102894459
2-methyl-2-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylpropan-1-amine
CID 83199239
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 102894513
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylmethanamine
CID 102894333

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-prop-2-enylpropan-2-amine?
The IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-prop-2-enylpropan-2-amine (CID 102894696) is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-prop-2-enylpropan-2-amine.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-prop-2-enylpropan-2-amine?
The canonical SMILES for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-prop-2-enylpropan-2-amine is C=CCN(CC1NCC2CCCC21)C(C)C.
What is the InChIKey of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-prop-2-enylpropan-2-amine?
The InChIKey is ZTTAEHPZKNWDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-8-16(11(2)3)10-14-13-7-5-6-12(13)9-15-14/h4,11-15H,1,5-10H2,2-3H3.
What are the key properties of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-prop-2-enylpropan-2-amine?
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-prop-2-enylpropan-2-amine has a molecular weight of 222.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-prop-2-enylpropan-2-amine is sourced from PubChem (CID 102894696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).