N-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-1,3-diamine

C11H26N2 — CID 61166306

IUPACN-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)NCCCNCC(C)(C)C
InChIInChI=1S/C11H26N2/c1-10(2)13-8-6-7-12-9-11(3,4)5/h10,12-13H,6-9H2,1-5H3
InChIKeyPPFKKSSJPVNCEY-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.01
Rot. Bonds6

About N-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-1,3-diamine

N-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 61166306) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID61166306
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)NCCCNCC(C)(C)C
InChIInChI=1S/C11H26N2/c1-10(2)13-8-6-7-12-9-11(3,4)5/h10,12-13H,6-9H2,1-5H3
InChIKeyPPFKKSSJPVNCEY-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-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 N-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-1,3-diamine (CID 61166306) is N-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-1,3-diamine is CC(C)NCCCNCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is PPFKKSSJPVNCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-10(2)13-8-6-7-12-9-11(3,4)5/h10,12-13H,6-9H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
N-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 61166306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).