N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(oxolan-2-yl)methanamine

C13H24N2O — CID 102894324

IUPACN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(oxolan-2-yl)methanamine
SMILESC1COC(CNCC2NCC3CCCC32)C1
InChIInChI=1S/C13H24N2O/c1-3-10-7-15-13(12(10)5-1)9-14-8-11-4-2-6-16-11/h10-15H,1-9H2
InChIKeyKTTCCNXZEQWSLD-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.14
Rot. Bonds4

About N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(oxolan-2-yl)methanamine

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(oxolan-2-yl)methanamine (PubChem CID 102894324) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(oxolan-2-yl)methanamine
PubChem CID102894324
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(oxolan-2-yl)methanamine
SMILESC1COC(CNCC2NCC3CCCC32)C1
InChIInChI=1S/C13H24N2O/c1-3-10-7-15-13(12(10)5-1)9-14-8-11-4-2-6-16-11/h10-15H,1-9H2
InChIKeyKTTCCNXZEQWSLD-UHFFFAOYSA-N
XLogP1.14
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]propan-2-amine
CID 170275774
N-methyl-1-[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methanamine
CID 172329283
[5-[(2-Cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methanamine
CID 55074281
1-[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine
CID 62435322
N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62553905
2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 62555552
2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62569038
1-cyclopentyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 65379447
N-(oxolan-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544492
2-(2-Cyclopentylpyrrolidin-1-yl)-2-(oxolan-2-yl)ethanamine
CID 82835710
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine
CID 82837635
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(oxolan-2-yl)ethanamine
CID 82837636

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(oxolan-2-yl)methanamine (CID 102894324) is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(oxolan-2-yl)methanamine is C1COC(CNCC2NCC3CCCC32)C1.
What is the InChIKey of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(oxolan-2-yl)methanamine?
The InChIKey is KTTCCNXZEQWSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-10-7-15-13(12(10)5-1)9-14-8-11-4-2-6-16-11/h10-15H,1-9H2.
What are the key properties of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(oxolan-2-yl)methanamine?
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(oxolan-2-yl)methanamine has a molecular weight of 224.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 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)-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 102894324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).