3-N,2-dimethyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine

C13H30N2 — CID 79408914

IUPAC3-N,2-dimethyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine
SMILESCC(C)CN(C)C(C)C(C)CNC(C)C
InChIInChI=1S/C13H30N2/c1-10(2)9-15(7)13(6)12(5)8-14-11(3)4/h10-14H,8-9H2,1-7H3
InChIKeyFFNNMYSSCJWBNA-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.60
Rot. Bonds7

About 3-N,2-dimethyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine

3-N,2-dimethyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine (PubChem CID 79408914) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 3-N,2-dimethyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N,2-dimethyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine
PubChem CID79408914
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name3-N,2-dimethyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine
SMILESCC(C)CN(C)C(C)C(C)CNC(C)C
InChIInChI=1S/C13H30N2/c1-10(2)9-15(7)13(6)12(5)8-14-11(3)4/h10-14H,8-9H2,1-7H3
InChIKeyFFNNMYSSCJWBNA-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-N,2-dimethyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-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

Frequently Asked Questions

What is the IUPAC name of 3-N,2-dimethyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine?
The IUPAC name of 3-N,2-dimethyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine (CID 79408914) is 3-N,2-dimethyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine.
What is the SMILES notation for 3-N,2-dimethyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine?
The canonical SMILES for 3-N,2-dimethyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine is CC(C)CN(C)C(C)C(C)CNC(C)C.
What is the InChIKey of 3-N,2-dimethyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine?
The InChIKey is FFNNMYSSCJWBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-10(2)9-15(7)13(6)12(5)8-14-11(3)4/h10-14H,8-9H2,1-7H3.
What are the key properties of 3-N,2-dimethyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine?
3-N,2-dimethyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,2-dimethyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine is sourced from PubChem (CID 79408914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).