N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine

C15H35N3 — CID 55089675

IUPACN'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)NCCN(CCN(C)C)CC(C)C
InChIInChI=1S/C15H35N3/c1-7-15(8-2)16-9-10-18(13-14(3)4)12-11-17(5)6/h14-16H,7-13H2,1-6H3
InChIKeyCNRFIOHQQHJJCP-UHFFFAOYSA-N
MW257.47 g/mol
LogP2.28
Rot. Bonds11

About N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine

N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine (PubChem CID 55089675) has the molecular formula C15H35N3 and a molecular weight of 257.47 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
PubChem CID55089675
Molecular FormulaC15H35N3
Molecular Weight257.47 g/mol
Exact Mass257.28
IUPAC NameN'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)NCCN(CCN(C)C)CC(C)C
InChIInChI=1S/C15H35N3/c1-7-15(8-2)16-9-10-18(13-14(3)4)12-11-17(5)6/h14-16H,7-13H2,1-6H3
InChIKeyCNRFIOHQQHJJCP-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-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'-[2-(dimethylamino)ethyl]-N-heptan-2-yl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62555157
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(ethylamino)butanenitrile
CID 63028503
1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505592
N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine
CID 62425913
N',N'-dimethyl-N-pentan-3-ylheptane-1,7-diamine
CID 115712735
N',N'-dibutyl-N-pentan-3-ylethane-1,2-diamine
CID 63503379
N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 140903521
N'-[2-(dimethylamino)ethyl]-N-(3-methylbutan-2-yl)-N'-propylethane-1,2-diamine
CID 55089009
N-heptan-3-yl-N',N'-dimethylethane-1,2-diamine
CID 63946060
N'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine
CID 62426095
N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 18709992
1-[bis[2-(dimethylamino)ethyl]amino]butan-2-ol
CID 22055175

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine (CID 55089675) is N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine is CCC(CC)NCCN(CCN(C)C)CC(C)C.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
The InChIKey is CNRFIOHQQHJJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3/c1-7-15(8-2)16-9-10-18(13-14(3)4)12-11-17(5)6/h14-16H,7-13H2,1-6H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine has a molecular weight of 257.47 g/mol, XLogP of 2.28, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 55089675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).