N'-(cyclopentylmethyl)-N-methylmethanediamine

C8H18N2 — CID 115226926

IUPACN'-(cyclopentylmethyl)-N-methylmethanediamine
SMILESCNCNCC1CCCC1
InChIInChI=1S/C8H18N2/c1-9-7-10-6-8-4-2-3-5-8/h8-10H,2-7H2,1H3
InChIKeyYSNQSHUYCWDFRS-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.94
Rot. Bonds4

About N'-(cyclopentylmethyl)-N-methylmethanediamine

N'-(cyclopentylmethyl)-N-methylmethanediamine (PubChem CID 115226926) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N'-(cyclopentylmethyl)-N-methylmethanediamine.

Molecular Properties

Compound NameN'-(cyclopentylmethyl)-N-methylmethanediamine
PubChem CID115226926
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN'-(cyclopentylmethyl)-N-methylmethanediamine
SMILESCNCNCC1CCCC1
InChIInChI=1S/C8H18N2/c1-9-7-10-6-8-4-2-3-5-8/h8-10H,2-7H2,1H3
InChIKeyYSNQSHUYCWDFRS-UHFFFAOYSA-N
XLogP0.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.94
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'}

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Related Compounds

1-cyclopentyl-N-methylmethanamine;molecular hydrogen
CID 142969533
1-cyclobutyl-N-(cyclobutylmethyl)methanamine
CID 54206114
1-cyclobutyl-N-(hydrazinylmethyl)methanamine
CID 115260885
1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride
CID 134690905
(cyclononylmethylamino)methanol
CID 137465268
N-(chloromethyl)-1-cyclopentylmethanamine
CID 115263105
N-methyl-1-[(5R)-5-methylcyclononyl]methanamine
CID 155332043
2-(cyclooctylmethylamino)-N-methylacetamide
CID 134293833
2-chloro-N-(cyclopentylmethyl)propan-1-amine
CID 65024059
4-[(cyclopentylmethylamino)methyl]cyclohexan-1-amine
CID 115213454
N-(cyclobutylmethyl)ethanamine;ethane
CID 171530006
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopentylmethyl)-N-methylmethanediamine?
The IUPAC name of N'-(cyclopentylmethyl)-N-methylmethanediamine (CID 115226926) is N'-(cyclopentylmethyl)-N-methylmethanediamine.
What is the SMILES notation for N'-(cyclopentylmethyl)-N-methylmethanediamine?
The canonical SMILES for N'-(cyclopentylmethyl)-N-methylmethanediamine is CNCNCC1CCCC1.
What is the InChIKey of N'-(cyclopentylmethyl)-N-methylmethanediamine?
The InChIKey is YSNQSHUYCWDFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-9-7-10-6-8-4-2-3-5-8/h8-10H,2-7H2,1H3.
What are the key properties of N'-(cyclopentylmethyl)-N-methylmethanediamine?
N'-(cyclopentylmethyl)-N-methylmethanediamine has a molecular weight of 142.25 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopentylmethyl)-N-methylmethanediamine is sourced from PubChem (CID 115226926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).