N'-(2-methylpropyl)propane-1,3-diamine

C7H18N2 — CID 21402718

IUPACN'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCCCN
InChIInChI=1S/C7H18N2/c1-7(2)6-9-5-3-4-8/h7,9H,3-6,8H2,1-2H3
InChIKeyMBUAMOKJRSMXKM-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.58
Rot. Bonds5

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

N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 21402718) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methylpropyl)propane-1,3-diamine
PubChem CID21402718
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC NameN'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCCCN
InChIInChI=1S/C7H18N2/c1-7(2)6-9-5-3-4-8/h7,9H,3-6,8H2,1-2H3
InChIKeyMBUAMOKJRSMXKM-UHFFFAOYSA-N
XLogP0.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N'-(2-methylpropyl)propane-1,3-diamine (CID 21402718) is N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methylpropyl)propane-1,3-diamine is CC(C)CNCCCN.
What is the InChIKey of N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is MBUAMOKJRSMXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-7(2)6-9-5-3-4-8/h7,9H,3-6,8H2,1-2H3.
What are the key properties of N'-(2-methylpropyl)propane-1,3-diamine?
N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 21402718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).