N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine

C13H28N2 — CID 63829803

IUPACN-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
SMILESCCNCC(C)CNCC1(C)CCCC1
InChIInChI=1S/C13H28N2/c1-4-14-9-12(2)10-15-11-13(3)7-5-6-8-13/h12,14-15H,4-11H2,1-3H3
InChIKeyOOUTURUFNGFZSK-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.40
Rot. Bonds7

About N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine

N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine (PubChem CID 63829803) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
PubChem CID63829803
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
SMILESCCNCC(C)CNCC1(C)CCCC1
InChIInChI=1S/C13H28N2/c1-4-14-9-12(2)10-15-11-13(3)7-5-6-8-13/h12,14-15H,4-11H2,1-3H3
InChIKeyOOUTURUFNGFZSK-UHFFFAOYSA-N
XLogP2.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]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

2-methyl-N-[(1-methylcyclopropyl)methyl]butan-1-amine
CID 103897149
2-methyl-N-[(1-methylcyclobutyl)methyl]propan-1-amine
CID 65196169
1-N-[(1-methylcyclopentyl)methyl]propane-1,2-diamine
CID 63831246
1-(ethylamino)-N-[(1-methylcyclohexyl)methyl]propane-2-sulfonamide
CID 114095179
2-methyl-1-N-[(1-methylcyclohexyl)methyl]heptane-1,6-diamine
CID 114094981
2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid
CID 63821690
N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 106827227
3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine
CID 112556001
1-(diethylamino)-3-[(1-methylcyclohexyl)methylamino]propan-2-ol
CID 114094874
2-methoxy-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 106114849
2-methyl-N-[(4-methyloxan-4-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 104586315
1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 62692015

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine (CID 63829803) is N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine is CCNCC(C)CNCC1(C)CCCC1.
What is the InChIKey of N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine?
The InChIKey is OOUTURUFNGFZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-14-9-12(2)10-15-11-13(3)7-5-6-8-13/h12,14-15H,4-11H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine?
N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 63829803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).