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

C15H28N2O — CID 102894568

IUPACN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCN(CC1CCOCC1)CC1NCC2CCCC21
InChIInChI=1S/C15H28N2O/c1-17(10-12-5-7-18-8-6-12)11-15-14-4-2-3-13(14)9-16-15/h12-16H,2-11H2,1H3
InChIKeyDUGGEZDTMGVGJK-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.73
Rot. Bonds4

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

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 102894568) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID102894568
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCN(CC1CCOCC1)CC1NCC2CCCC21
InChIInChI=1S/C15H28N2O/c1-17(10-12-5-7-18-8-6-12)11-15-14-4-2-3-13(14)9-16-15/h12-16H,2-11H2,1H3
InChIKeyDUGGEZDTMGVGJK-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylmethanamine
CID 102894333
N-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine
CID 86323616
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
CID 102894656
N-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 114240374
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,4-dimethylaniline
CID 102894459
(3R)-N-methyl-N-(oxan-4-ylmethyl)piperidin-3-amine
CID 86323316
N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115262142
N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 115213705
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-ethylprop-2-yn-1-amine
CID 102894689
1-cyclopentyl-N-methyl-N-[(3-methylpiperidin-2-yl)methyl]methanamine
CID 107069267

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine (CID 102894568) is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine is CN(CC1CCOCC1)CC1NCC2CCCC21.
What is the InChIKey of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is DUGGEZDTMGVGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-17(10-12-5-7-18-8-6-12)11-15-14-4-2-3-13(14)9-16-15/h12-16H,2-11H2,1H3.
What are the key properties of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine?
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 252.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 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)-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 102894568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).