N-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-diamine

C11H27N3 — CID 90738299

IUPACN-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-diamine
SMILESCCCCCN(C)CCNCCNC
InChIInChI=1S/C11H27N3/c1-4-5-6-10-14(3)11-9-13-8-7-12-2/h12-13H,4-11H2,1-3H3
InChIKeyPRYFMQBCBFTFRA-UHFFFAOYSA-N
MW201.36 g/mol
LogP0.92
Rot. Bonds10

About N-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-diamine

N-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-diamine (PubChem CID 90738299) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is N-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-diamine
PubChem CID90738299
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC NameN-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-diamine
SMILESCCCCCN(C)CCNCCNC
InChIInChI=1S/C11H27N3/c1-4-5-6-10-14(3)11-9-13-8-7-12-2/h12-13H,4-11H2,1-3H3
InChIKeyPRYFMQBCBFTFRA-UHFFFAOYSA-N
XLogP0.92
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-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'-heptyl-N,N'-dimethylethane-1,2-diamine
CID 43374401
N'-heptadecyl-N,N'-dimethylethane-1,2-diamine
CID 23574295
N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine
CID 139950987
N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine
CID 62560197
N'-decyl-N-ethyl-N'-methylethane-1,2-diamine
CID 63526975
N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine
CID 170176029
N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
CID 61386626
N-(2-aminoethyl)-N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethyl-methylamino]ethyl]-N-[2-[2-aminoethyl-[2-[2-aminoethyl(butyl)amino]ethyl]amino]ethyl]-N'-[2-[2-[2-(methylamino)ethylamino]ethylamino]ethyl]pentane-1,5-diamine
CID 160614598
N'-methyl-N'-pentyl-N-prop-2-ynylethane-1,2-diamine
CID 62559632
N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725666
N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591894
N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine
CID 63527329

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-diamine (CID 90738299) is N-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-diamine is CCCCCN(C)CCNCCNC.
What is the InChIKey of N-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-diamine?
The InChIKey is PRYFMQBCBFTFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-4-5-6-10-14(3)11-9-13-8-7-12-2/h12-13H,4-11H2,1-3H3.
What are the key properties of N-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-diamine?
N-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-diamine has a molecular weight of 201.36 g/mol, XLogP of 0.92, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 90738299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).