N-butyl-N'-(3-cyclopropylpropyl)propane-1,3-diamine

C13H28N2 — CID 91342214

IUPACN-butyl-N'-(3-cyclopropylpropyl)propane-1,3-diamine
SMILESCCCCNCCCNCCCC1CC1
InChIInChI=1S/C13H28N2/c1-2-3-9-14-11-5-12-15-10-4-6-13-7-8-13/h13-15H,2-12H2,1H3
InChIKeyANMMYZASNPLLPO-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.55
Rot. Bonds11

About N-butyl-N'-(3-cyclopropylpropyl)propane-1,3-diamine

N-butyl-N'-(3-cyclopropylpropyl)propane-1,3-diamine (PubChem CID 91342214) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-butyl-N'-(3-cyclopropylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-butyl-N'-(3-cyclopropylpropyl)propane-1,3-diamine
PubChem CID91342214
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-butyl-N'-(3-cyclopropylpropyl)propane-1,3-diamine
SMILESCCCCNCCCNCCCC1CC1
InChIInChI=1S/C13H28N2/c1-2-3-9-14-11-5-12-15-10-4-6-13-7-8-13/h13-15H,2-12H2,1H3
InChIKeyANMMYZASNPLLPO-UHFFFAOYSA-N
XLogP2.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.55
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-butyl-N'-(3-cyclopropylpropyl)propane-1,3-diamine?
The IUPAC name of N-butyl-N'-(3-cyclopropylpropyl)propane-1,3-diamine (CID 91342214) is N-butyl-N'-(3-cyclopropylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-butyl-N'-(3-cyclopropylpropyl)propane-1,3-diamine?
The canonical SMILES for N-butyl-N'-(3-cyclopropylpropyl)propane-1,3-diamine is CCCCNCCCNCCCC1CC1.
What is the InChIKey of N-butyl-N'-(3-cyclopropylpropyl)propane-1,3-diamine?
The InChIKey is ANMMYZASNPLLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-2-3-9-14-11-5-12-15-10-4-6-13-7-8-13/h13-15H,2-12H2,1H3.
What are the key properties of N-butyl-N'-(3-cyclopropylpropyl)propane-1,3-diamine?
N-butyl-N'-(3-cyclopropylpropyl)propane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.55, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(3-cyclopropylpropyl)propane-1,3-diamine is sourced from PubChem (CID 91342214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).