N-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine

C14H28N2O — CID 82753744

IUPACN-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
SMILESCC1OCCC1N(C)CCCNC1CCCC1
InChIInChI=1S/C14H28N2O/c1-12-14(8-11-17-12)16(2)10-5-9-15-13-6-3-4-7-13/h12-15H,3-11H2,1-2H3
InChIKeyAVYMXJNDTXEXLH-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds6

About N-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine

N-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine (PubChem CID 82753744) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
PubChem CID82753744
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
SMILESCC1OCCC1N(C)CCCNC1CCCC1
InChIInChI=1S/C14H28N2O/c1-12-14(8-11-17-12)16(2)10-5-9-15-13-6-3-4-7-13/h12-15H,3-11H2,1-2H3
InChIKeyAVYMXJNDTXEXLH-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82734841
4-[methyl-(2-methyloxolan-3-yl)amino]butan-1-ol
CID 115778219
N-(cyclopentylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82754980
N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718003
N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82753838
2-[3-(cyclopropylamino)propyl-methylamino]cyclohexan-1-ol
CID 102636193
2-(cyclopropylamino)-N-methyl-N-(2-methyloxolan-3-yl)ethanesulfonamide
CID 82745510
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide
CID 115778229
N-(3-azidopropyl)-N,2-dimethyloxolan-3-amine
CID 82749499
4-[methyl-(2-methyloxolan-3-yl)amino]butanehydrazide
CID 82753689
2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile
CID 82749198

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine?
The IUPAC name of N-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine (CID 82753744) is N-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine?
The canonical SMILES for N-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine is CC1OCCC1N(C)CCCNC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine?
The InChIKey is AVYMXJNDTXEXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12-14(8-11-17-12)16(2)10-5-9-15-13-6-3-4-7-13/h12-15H,3-11H2,1-2H3.
What are the key properties of N-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine?
N-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 82753744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).