N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine

C10H24N2 — CID 43295447

IUPACN',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
SMILESCCC(C)CN(C)CC(C)CN
InChIInChI=1S/C10H24N2/c1-5-9(2)7-12(4)8-10(3)6-11/h9-10H,5-8,11H2,1-4H3
InChIKeyLEPDTOFIEBFZLT-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.56
Rot. Bonds6

About N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine

N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine (PubChem CID 43295447) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
PubChem CID43295447
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC NameN',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
SMILESCCC(C)CN(C)CC(C)CN
InChIInChI=1S/C10H24N2/c1-5-9(2)7-12(4)8-10(3)6-11/h9-10H,5-8,11H2,1-4H3
InChIKeyLEPDTOFIEBFZLT-UHFFFAOYSA-N
XLogP1.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N',2-dimethyl-N'-(2-methylbutyl)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'-ethyl-N',2-dimethylpropane-1,3-diamine
CID 25219171
(2S)-N-ethyl-N,2-dimethylbutan-1-amine
CID 89086806
ethane;(2S)-2-methylbutan-1-amine
CID 168995641
1-N,2-dimethyl-1-N-(2-methylbutyl)heptane-1,6-diamine
CID 65296431
N,2-dimethylbutan-1-amine;2-methylbutan-1-amine;N,N,2-trimethylbutan-1-amine
CID 158144247
N'-[(Z)-3,5-dimethylhept-2-en-2-yl]-N',2-dimethylpropane-1,3-diamine
CID 167142772
N-(2-chloro-3-methoxypropyl)-N,2-dimethylbutan-1-amine
CID 63387954
N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine
CID 81080503
2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine
CID 43295523
ethane;N,N,2-trimethylbutan-1-amine
CID 144720352
N-methyl-N-(2-methylbutyl)hydroxylamine
CID 143701595
ethane;(2R)-N,N,2-trimethylbutan-1-amine
CID 178101295

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine?
The IUPAC name of N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine (CID 43295447) is N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine is CCC(C)CN(C)CC(C)CN.
What is the InChIKey of N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine?
The InChIKey is LEPDTOFIEBFZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-5-9(2)7-12(4)8-10(3)6-11/h9-10H,5-8,11H2,1-4H3.
What are the key properties of N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine?
N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.56, 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-methylbutyl)propane-1,3-diamine is sourced from PubChem (CID 43295447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).