N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-2-methylbutan-2-amine

C14H28N2 — CID 115562348

IUPACN-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCCN1CC2CCCC2C1
InChIInChI=1S/C14H28N2/c1-4-14(2,3)15-8-9-16-10-12-6-5-7-13(12)11-16/h12-13,15H,4-11H2,1-3H3
InChIKeyDFMYZDDHHMRFNO-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.50
Rot. Bonds5

About N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-2-methylbutan-2-amine

N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-2-methylbutan-2-amine (PubChem CID 115562348) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-2-methylbutan-2-amine
PubChem CID115562348
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCCN1CC2CCCC2C1
InChIInChI=1S/C14H28N2/c1-4-14(2,3)15-8-9-16-10-12-6-5-7-13(12)11-16/h12-13,15H,4-11H2,1-3H3
InChIKeyDFMYZDDHHMRFNO-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]pentan-3-amine
CID 115562338
2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 123306364
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106809795
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-3-methylbutan-2-amine
CID 115562332
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpentan-1-ol
CID 113336335
2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 21427660
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]cycloheptanamine
CID 113336240
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 115562322
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-propylbutan-2-amine
CID 115559484
N-[2-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-2-methylbutan-2-amine
CID 63163502
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2-ethylbutane-1-thiol
CID 115562974
2-methyl-N-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethyl]propan-2-amine
CID 81197694

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-2-methylbutan-2-amine?
The IUPAC name of N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-2-methylbutan-2-amine (CID 115562348) is N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-2-methylbutan-2-amine is CCC(C)(C)NCCN1CC2CCCC2C1.
What is the InChIKey of N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-2-methylbutan-2-amine?
The InChIKey is DFMYZDDHHMRFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-14(2,3)15-8-9-16-10-12-6-5-7-13(12)11-16/h12-13,15H,4-11H2,1-3H3.
What are the key properties of N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-2-methylbutan-2-amine?
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-2-methylbutan-2-amine has a molecular weight of 224.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-2-methylbutan-2-amine is sourced from PubChem (CID 115562348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).