2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine

C11H27N3 — CID 65385472

IUPAC2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine
SMILESCCN(CC)CCNC(CN)C(C)C
InChIInChI=1S/C11H27N3/c1-5-14(6-2)8-7-13-11(9-12)10(3)4/h10-11,13H,5-9,12H2,1-4H3
InChIKeyCGNLIZFPQLZIIF-UHFFFAOYSA-N
MW201.36 g/mol
LogP0.90
Rot. Bonds8

About 2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine

2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine (PubChem CID 65385472) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is 2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine
PubChem CID65385472
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC Name2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine
SMILESCCN(CC)CCNC(CN)C(C)C
InChIInChI=1S/C11H27N3/c1-5-14(6-2)8-7-13-11(9-12)10(3)4/h10-11,13H,5-9,12H2,1-4H3
InChIKeyCGNLIZFPQLZIIF-UHFFFAOYSA-N
XLogP0.90
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-[2-(diethylamino)ethyl]-3-methylbutane-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

2-N-[2-(diethylamino)ethyl]-3-ethylpentane-1,2-diamine
CID 65382937
N-(1-chloro-4-methylpentan-3-yl)-N',N'-diethylethane-1,2-diamine
CID 106353902
1-N-[2-(diethylamino)ethyl]-1-N',1-N'-dimethylethane-1,1,2-triamine
CID 123998123
2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine
CID 5239027
2-N-dodecyl-3-methylbutane-1,2-diamine
CID 106345395
N'-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-N'-propylethane-1,2-diamine
CID 115726254
N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441031
1-cyclopropyl-N-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 65385048
2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide
CID 77026359
N,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997904
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide
CID 66430169

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine (CID 65385472) is 2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine is CCN(CC)CCNC(CN)C(C)C.
What is the InChIKey of 2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine?
The InChIKey is CGNLIZFPQLZIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-5-14(6-2)8-7-13-11(9-12)10(3)4/h10-11,13H,5-9,12H2,1-4H3.
What are the key properties of 2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine?
2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine has a molecular weight of 201.36 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine is sourced from PubChem (CID 65385472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).