N'-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine

C10H25N3 — CID 23423558

IUPACN'-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine
SMILESCC(C)NCCNCCNC(C)C
InChIInChI=1S/C10H25N3/c1-9(2)12-7-5-11-6-8-13-10(3)4/h9-13H,5-8H2,1-4H3
InChIKeyZMPVYUQJASSVMZ-UHFFFAOYSA-N
MW187.33 g/mol
LogP0.57
Rot. Bonds8

About N'-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine

N'-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine (PubChem CID 23423558) has the molecular formula C10H25N3 and a molecular weight of 187.33 g/mol. Its IUPAC name is N'-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine
PubChem CID23423558
Molecular FormulaC10H25N3
Molecular Weight187.33 g/mol
Exact Mass187.20
IUPAC NameN'-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine
SMILESCC(C)NCCNCCNC(C)C
InChIInChI=1S/C10H25N3/c1-9(2)12-7-5-11-6-8-13-10(3)4/h9-13H,5-8H2,1-4H3
InChIKeyZMPVYUQJASSVMZ-UHFFFAOYSA-N
XLogP0.57
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-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'-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine (CID 23423558) is N'-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine is CC(C)NCCNCCNC(C)C.
What is the InChIKey of N'-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine?
The InChIKey is ZMPVYUQJASSVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3/c1-9(2)12-7-5-11-6-8-13-10(3)4/h9-13H,5-8H2,1-4H3.
What are the key properties of N'-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine?
N'-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine has a molecular weight of 187.33 g/mol, XLogP of 0.57, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 23423558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).