N-(cyclopenten-1-ylmethyl)-3-methyloxolan-3-amine

C11H19NO — CID 130941641

IUPACN-(cyclopenten-1-ylmethyl)-3-methyloxolan-3-amine
SMILESCC1(NCC2=CCCC2)CCOC1
InChIInChI=1S/C11H19NO/c1-11(6-7-13-9-11)12-8-10-4-2-3-5-10/h4,12H,2-3,5-9H2,1H3
InChIKeyFMBPEULGNNSPBM-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.87
Rot. Bonds3

About N-(cyclopenten-1-ylmethyl)-3-methyloxolan-3-amine

N-(cyclopenten-1-ylmethyl)-3-methyloxolan-3-amine (PubChem CID 130941641) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(cyclopenten-1-ylmethyl)-3-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(cyclopenten-1-ylmethyl)-3-methyloxolan-3-amine
PubChem CID130941641
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(cyclopenten-1-ylmethyl)-3-methyloxolan-3-amine
SMILESCC1(NCC2=CCCC2)CCOC1
InChIInChI=1S/C11H19NO/c1-11(6-7-13-9-11)12-8-10-4-2-3-5-10/h4,12H,2-3,5-9H2,1H3
InChIKeyFMBPEULGNNSPBM-UHFFFAOYSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyloxan-4-amine
CID 115758147
3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine
CID 106173343
N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine
CID 115768832
N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine
CID 115768702
2-[[(3-methyloxolan-3-yl)amino]methyl]phenol
CID 115768602
N-[(5-chlorofuran-2-yl)methyl]-3-methyloxolan-3-amine
CID 115768841
3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine
CID 115768600
N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine
CID 113338521
3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine
CID 115768836
N-[(2-bromothiophen-3-yl)methyl]-3-methyloxolan-3-amine
CID 131025793
N-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide
CID 103897392
N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine
CID 115768576

Frequently Asked Questions

What is the IUPAC name of N-(cyclopenten-1-ylmethyl)-3-methyloxolan-3-amine?
The IUPAC name of N-(cyclopenten-1-ylmethyl)-3-methyloxolan-3-amine (CID 130941641) is N-(cyclopenten-1-ylmethyl)-3-methyloxolan-3-amine.
What is the SMILES notation for N-(cyclopenten-1-ylmethyl)-3-methyloxolan-3-amine?
The canonical SMILES for N-(cyclopenten-1-ylmethyl)-3-methyloxolan-3-amine is CC1(NCC2=CCCC2)CCOC1.
What is the InChIKey of N-(cyclopenten-1-ylmethyl)-3-methyloxolan-3-amine?
The InChIKey is FMBPEULGNNSPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(6-7-13-9-11)12-8-10-4-2-3-5-10/h4,12H,2-3,5-9H2,1H3.
What are the key properties of N-(cyclopenten-1-ylmethyl)-3-methyloxolan-3-amine?
N-(cyclopenten-1-ylmethyl)-3-methyloxolan-3-amine has a molecular weight of 181.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenten-1-ylmethyl)-3-methyloxolan-3-amine is sourced from PubChem (CID 130941641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).