N'-[(4-ethylcyclopent-2-en-1-yl)methyl]-N-methylmethanediamine

C10H20N2 — CID 126660101

IUPACN'-[(4-ethylcyclopent-2-en-1-yl)methyl]-N-methylmethanediamine
SMILESCCC1C=CC(CNCNC)C1
InChIInChI=1S/C10H20N2/c1-3-9-4-5-10(6-9)7-12-8-11-2/h4-5,9-12H,3,6-8H2,1-2H3
InChIKeyMXTNCQXLAPLYKK-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.36
Rot. Bonds5

About N'-[(4-ethylcyclopent-2-en-1-yl)methyl]-N-methylmethanediamine

N'-[(4-ethylcyclopent-2-en-1-yl)methyl]-N-methylmethanediamine (PubChem CID 126660101) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-[(4-ethylcyclopent-2-en-1-yl)methyl]-N-methylmethanediamine.

Molecular Properties

Compound NameN'-[(4-ethylcyclopent-2-en-1-yl)methyl]-N-methylmethanediamine
PubChem CID126660101
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-[(4-ethylcyclopent-2-en-1-yl)methyl]-N-methylmethanediamine
SMILESCCC1C=CC(CNCNC)C1
InChIInChI=1S/C10H20N2/c1-3-9-4-5-10(6-9)7-12-8-11-2/h4-5,9-12H,3,6-8H2,1-2H3
InChIKeyMXTNCQXLAPLYKK-UHFFFAOYSA-N
XLogP1.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-ethylcyclopent-2-en-1-yl)methyl]-N-methylmethanediamine?
The IUPAC name of N'-[(4-ethylcyclopent-2-en-1-yl)methyl]-N-methylmethanediamine (CID 126660101) is N'-[(4-ethylcyclopent-2-en-1-yl)methyl]-N-methylmethanediamine.
What is the SMILES notation for N'-[(4-ethylcyclopent-2-en-1-yl)methyl]-N-methylmethanediamine?
The canonical SMILES for N'-[(4-ethylcyclopent-2-en-1-yl)methyl]-N-methylmethanediamine is CCC1C=CC(CNCNC)C1.
What is the InChIKey of N'-[(4-ethylcyclopent-2-en-1-yl)methyl]-N-methylmethanediamine?
The InChIKey is MXTNCQXLAPLYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-9-4-5-10(6-9)7-12-8-11-2/h4-5,9-12H,3,6-8H2,1-2H3.
What are the key properties of N'-[(4-ethylcyclopent-2-en-1-yl)methyl]-N-methylmethanediamine?
N'-[(4-ethylcyclopent-2-en-1-yl)methyl]-N-methylmethanediamine has a molecular weight of 168.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-ethylcyclopent-2-en-1-yl)methyl]-N-methylmethanediamine is sourced from PubChem (CID 126660101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).