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

C14H28N2 — CID 115562332

IUPACN-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCCN1CC2CCCC2C1
InChIInChI=1S/C14H28N2/c1-11(2)12(3)15-7-8-16-9-13-5-4-6-14(13)10-16/h11-15H,4-10H2,1-3H3
InChIKeyICCRXOFYNYKTAQ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.35
Rot. Bonds5

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

N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-3-methylbutan-2-amine (PubChem CID 115562332) 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]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-3-methylbutan-2-amine
PubChem CID115562332
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]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCCN1CC2CCCC2C1
InChIInChI=1S/C14H28N2/c1-11(2)12(3)15-7-8-16-9-13-5-4-6-14(13)10-16/h11-15H,4-10H2,1-3H3
InChIKeyICCRXOFYNYKTAQ-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
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
3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine
CID 62574451
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-propylbutan-2-amine
CID 115559484
N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyrrolidin-3-amine
CID 63167315
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine
CID 55089717
2-(3-methylbutyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 14761806
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 115562253
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
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-2-methylbutan-2-amine
CID 115562348
3-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]butan-2-amine
CID 62573692
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylpentane-1-thiol
CID 115562967

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]-3-methylbutan-2-amine?
The IUPAC name of N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-3-methylbutan-2-amine (CID 115562332) is N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-3-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]-3-methylbutan-2-amine?
The canonical SMILES for N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-3-methylbutan-2-amine is CC(C)C(C)NCCN1CC2CCCC2C1.
What is the InChIKey of N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-3-methylbutan-2-amine?
The InChIKey is ICCRXOFYNYKTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)12(3)15-7-8-16-9-13-5-4-6-14(13)10-16/h11-15H,4-10H2,1-3H3.
What are the key properties of N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-3-methylbutan-2-amine?
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-3-methylbutan-2-amine has a molecular weight of 224.39 g/mol, XLogP of 2.35, 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]-3-methylbutan-2-amine is sourced from PubChem (CID 115562332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).