N'-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine

C14H32N2 — CID 107473500

IUPACN'-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine
SMILESCC(C)C(C)CNCC(CN)CC(C)(C)C
InChIInChI=1S/C14H32N2/c1-11(2)12(3)9-16-10-13(8-15)7-14(4,5)6/h11-13,16H,7-10,15H2,1-6H3
InChIKeyBHOAJFKRHVWJPO-UHFFFAOYSA-N
MW228.42 g/mol
LogP2.88
Rot. Bonds7

About N'-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine

N'-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine (PubChem CID 107473500) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N'-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine
PubChem CID107473500
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN'-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine
SMILESCC(C)C(C)CNCC(CN)CC(C)(C)C
InChIInChI=1S/C14H32N2/c1-11(2)12(3)9-16-10-13(8-15)7-14(4,5)6/h11-13,16H,7-10,15H2,1-6H3
InChIKeyBHOAJFKRHVWJPO-UHFFFAOYSA-N
XLogP2.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N'-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)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

N'-(3-cyclopropylpropyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine
CID 107473665
N'-(dicyclopropylmethyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine
CID 107473291
2,3,4-trimethyl-N-(2,3,4-trimethylpentyl)pentan-1-amine
CID 19083260
2-(2,2-dimethylpropyl)-N'-(3-tricyclo[3.2.1.02,4]octanyl)propane-1,3-diamine
CID 114096311
2-(2,2-dimethylpropyl)-N'-(3-methyloxan-3-yl)propane-1,3-diamine
CID 114113989
(2R)-2-N-(2,3-dimethylbutyl)propane-1,2-diamine
CID 104868008
(2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine
CID 59084986
2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine
CID 107473290
4,4-dimethyl-2-(methylsulfonylmethyl)pentan-1-amine
CID 117241821
4-(2,3-dimethylbutylamino)-2-methylbutan-2-ol
CID 79355989
2-(2,2-dimethylpropyl)-N'-(4-methylcycloheptyl)propane-1,3-diamine
CID 114100507
2,3,4,5,6,7,8,9,9-nonamethyldecan-1-amine
CID 146383769

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine?
The IUPAC name of N'-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine (CID 107473500) is N'-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine is CC(C)C(C)CNCC(CN)CC(C)(C)C.
What is the InChIKey of N'-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine?
The InChIKey is BHOAJFKRHVWJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-11(2)12(3)9-16-10-13(8-15)7-14(4,5)6/h11-13,16H,7-10,15H2,1-6H3.
What are the key properties of N'-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine?
N'-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine has a molecular weight of 228.42 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine is sourced from PubChem (CID 107473500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).