N,N'-dibutyl-2-methylidenepropane-1,3-diamine

C12H26N2 — CID 10608042

IUPACN,N'-dibutyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNCCCC)CNCCCC
InChIInChI=1S/C12H26N2/c1-4-6-8-13-10-12(3)11-14-9-7-5-2/h13-14H,3-11H2,1-2H3
InChIKeyMESNIRKKCKNYDE-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.32
Rot. Bonds10

About N,N'-dibutyl-2-methylidenepropane-1,3-diamine

N,N'-dibutyl-2-methylidenepropane-1,3-diamine (PubChem CID 10608042) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N,N'-dibutyl-2-methylidenepropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dibutyl-2-methylidenepropane-1,3-diamine
PubChem CID10608042
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN,N'-dibutyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNCCCC)CNCCCC
InChIInChI=1S/C12H26N2/c1-4-6-8-13-10-12(3)11-14-9-7-5-2/h13-14H,3-11H2,1-2H3
InChIKeyMESNIRKKCKNYDE-UHFFFAOYSA-N
XLogP2.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dibutyl-2-methylidenepropane-1,3-diamine?
The IUPAC name of N,N'-dibutyl-2-methylidenepropane-1,3-diamine (CID 10608042) is N,N'-dibutyl-2-methylidenepropane-1,3-diamine.
What is the SMILES notation for N,N'-dibutyl-2-methylidenepropane-1,3-diamine?
The canonical SMILES for N,N'-dibutyl-2-methylidenepropane-1,3-diamine is C=C(CNCCCC)CNCCCC.
What is the InChIKey of N,N'-dibutyl-2-methylidenepropane-1,3-diamine?
The InChIKey is MESNIRKKCKNYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-6-8-13-10-12(3)11-14-9-7-5-2/h13-14H,3-11H2,1-2H3.
What are the key properties of N,N'-dibutyl-2-methylidenepropane-1,3-diamine?
N,N'-dibutyl-2-methylidenepropane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.32, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibutyl-2-methylidenepropane-1,3-diamine is sourced from PubChem (CID 10608042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).