N-(cyclopentylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine

C14H28N2O — CID 82754980

IUPACN-(cyclopentylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
SMILESCC1OCCC1N(C)CCNCC1CCCC1
InChIInChI=1S/C14H28N2O/c1-12-14(7-10-17-12)16(2)9-8-15-11-13-5-3-4-6-13/h12-15H,3-11H2,1-2H3
InChIKeyOZXIVLDMKJOVMA-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds6

About N-(cyclopentylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine

N-(cyclopentylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine (PubChem CID 82754980) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
PubChem CID82754980
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(cyclopentylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
SMILESCC1OCCC1N(C)CCNCC1CCCC1
InChIInChI=1S/C14H28N2O/c1-12-14(7-10-17-12)16(2)9-8-15-11-13-5-3-4-6-13/h12-15H,3-11H2,1-2H3
InChIKeyOZXIVLDMKJOVMA-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82753744
N-(4-ethoxybutyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82754362
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
4-[methyl-(2-methyloxolan-3-yl)amino]butan-1-ol
CID 115778219
N-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82734841
4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol
CID 82748524
N-(furan-3-ylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82754097
N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718003
3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82749509
1-cyclopentyl-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol
CID 104753050
N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 114207737
4-[methyl-(2-methyloxolan-3-yl)amino]butanehydrazide
CID 82753689

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(cyclopentylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine (CID 82754980) is N-(cyclopentylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopentylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclopentylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine is CC1OCCC1N(C)CCNCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The InChIKey is OZXIVLDMKJOVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12-14(7-10-17-12)16(2)9-8-15-11-13-5-3-4-6-13/h12-15H,3-11H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine?
N-(cyclopentylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82754980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).