N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine

C16H30N2 — CID 113336169

IUPACN-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1(CN2CC3CCCC3C2)CCCC1
InChIInChI=1S/C16H30N2/c1-2-17-12-16(8-3-4-9-16)13-18-10-14-6-5-7-15(14)11-18/h14-15,17H,2-13H2,1H3
InChIKeyMALZRBNURCMYHF-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.89
Rot. Bonds5

About N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine

N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine (PubChem CID 113336169) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine
PubChem CID113336169
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1(CN2CC3CCCC3C2)CCCC1
InChIInChI=1S/C16H30N2/c1-2-17-12-16(8-3-4-9-16)13-18-10-14-6-5-7-15(14)11-18/h14-15,17H,2-13H2,1H3
InChIKeyMALZRBNURCMYHF-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 79184034
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine
CID 79184587
N-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 114539697
N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 113418861
1-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81475330
N-[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxan-3-yl]methyl]ethanamine
CID 63741015
N-[[1-[(4-ethylpiperazin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 62263344
N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 55051871
1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967293
[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanol
CID 113336189
[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanethiol
CID 115562971
N-[[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 102967157

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine (CID 113336169) is N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine is CCNCC1(CN2CC3CCCC3C2)CCCC1.
What is the InChIKey of N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine?
The InChIKey is MALZRBNURCMYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-17-12-16(8-3-4-9-16)13-18-10-14-6-5-7-15(14)11-18/h14-15,17H,2-13H2,1H3.
What are the key properties of N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine?
N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine has a molecular weight of 250.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 113336169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).