N,N'-bis(prop-2-enyl)-N,N'-dipropylmethanediamine

C13H26N2 — CID 21275128

IUPACN,N'-bis(prop-2-enyl)-N,N'-dipropylmethanediamine
SMILESC=CCN(CCC)CN(CC=C)CCC
InChIInChI=1S/C13H26N2/c1-5-9-14(10-6-2)13-15(11-7-3)12-8-4/h5,7H,1,3,6,8-13H2,2,4H3
InChIKeyRNVICWXIVQTGLK-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.74
Rot. Bonds10

About N,N'-bis(prop-2-enyl)-N,N'-dipropylmethanediamine

N,N'-bis(prop-2-enyl)-N,N'-dipropylmethanediamine (PubChem CID 21275128) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N,N'-bis(prop-2-enyl)-N,N'-dipropylmethanediamine.

Molecular Properties

Compound NameN,N'-bis(prop-2-enyl)-N,N'-dipropylmethanediamine
PubChem CID21275128
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN,N'-bis(prop-2-enyl)-N,N'-dipropylmethanediamine
SMILESC=CCN(CCC)CN(CC=C)CCC
InChIInChI=1S/C13H26N2/c1-5-9-14(10-6-2)13-15(11-7-3)12-8-4/h5,7H,1,3,6,8-13H2,2,4H3
InChIKeyRNVICWXIVQTGLK-UHFFFAOYSA-N
XLogP2.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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'-bis(prop-2-enyl)-N,N'-dipropylmethanediamine?
The IUPAC name of N,N'-bis(prop-2-enyl)-N,N'-dipropylmethanediamine (CID 21275128) is N,N'-bis(prop-2-enyl)-N,N'-dipropylmethanediamine.
What is the SMILES notation for N,N'-bis(prop-2-enyl)-N,N'-dipropylmethanediamine?
The canonical SMILES for N,N'-bis(prop-2-enyl)-N,N'-dipropylmethanediamine is C=CCN(CCC)CN(CC=C)CCC.
What is the InChIKey of N,N'-bis(prop-2-enyl)-N,N'-dipropylmethanediamine?
The InChIKey is RNVICWXIVQTGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-9-14(10-6-2)13-15(11-7-3)12-8-4/h5,7H,1,3,6,8-13H2,2,4H3.
What are the key properties of N,N'-bis(prop-2-enyl)-N,N'-dipropylmethanediamine?
N,N'-bis(prop-2-enyl)-N,N'-dipropylmethanediamine has a molecular weight of 210.36 g/mol, XLogP of 2.74, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(prop-2-enyl)-N,N'-dipropylmethanediamine is sourced from PubChem (CID 21275128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).