N',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine

C11H26N2 — CID 81080379

IUPACN',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine
SMILESCCC(C)(C)N(C)CCC(C)CN
InChIInChI=1S/C11H26N2/c1-6-11(3,4)13(5)8-7-10(2)9-12/h10H,6-9,12H2,1-5H3
InChIKeyFVSCQNBPVCOLJE-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.09
Rot. Bonds6

About N',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine

N',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine (PubChem CID 81080379) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine
PubChem CID81080379
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine
SMILESCCC(C)(C)N(C)CCC(C)CN
InChIInChI=1S/C11H26N2/c1-6-11(3,4)13(5)8-7-10(2)9-12/h10H,6-9,12H2,1-5H3
InChIKeyFVSCQNBPVCOLJE-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-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-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63981166
2-amino-4-[methyl(2-methylbutan-2-yl)amino]butan-1-ol
CID 64790623
N'-ethyl-N',2-dimethylbutane-1,4-diamine
CID 81079542
N',2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81080701
2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 61425963
N,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine
CID 142386094
2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 61425411
1-N,4-N-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,4-diamine
CID 63982710
N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine
CID 81080503
N'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine
CID 81080602
ethane;propane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 171506447
2-N,2-dimethyl-2-N-(2-methylpentyl)propane-1,2-diamine
CID 62264836

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine?
The IUPAC name of N',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine (CID 81080379) is N',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine.
What is the SMILES notation for N',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine?
The canonical SMILES for N',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine is CCC(C)(C)N(C)CCC(C)CN.
What is the InChIKey of N',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine?
The InChIKey is FVSCQNBPVCOLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-6-11(3,4)13(5)8-7-10(2)9-12/h10H,6-9,12H2,1-5H3.
What are the key properties of N',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine?
N',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine is sourced from PubChem (CID 81080379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).