N,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine

C11H22N2 — CID 21275121

IUPACN,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine
SMILESC=CCN(CC)CN(CC)CC=C
InChIInChI=1S/C11H22N2/c1-5-9-12(7-3)11-13(8-4)10-6-2/h5-6H,1-2,7-11H2,3-4H3
InChIKeyHHTBJRCNRRPLDC-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.96
Rot. Bonds8

About N,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine

N,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine (PubChem CID 21275121) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine.

Molecular Properties

Compound NameN,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine
PubChem CID21275121
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine
SMILESC=CCN(CC)CN(CC)CC=C
InChIInChI=1S/C11H22N2/c1-5-9-12(7-3)11-13(8-4)10-6-2/h5-6H,1-2,7-11H2,3-4H3
InChIKeyHHTBJRCNRRPLDC-UHFFFAOYSA-N
XLogP1.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.96
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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Related Compounds

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CID 143235100
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CID 174389413
N-prop-2-enyl-N-propylpropan-1-amine
CID 527008
[ethyl(prop-2-enyl)amino]methylphosphonic acid
CID 59560504
6-[ethyl(prop-2-enyl)amino]hexan-1-ol
CID 19031037
N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine
CID 165462284
N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
CID 173066031
N,N-bis(prop-2-enyl)undecan-1-amine
CID 10156078
cyclopenta-1,3-diene;tris(N,N-diethylprop-2-en-1-amine);zirconium
CID 173317628
N'-(aminomethyl)-N'-prop-2-enylmethanediamine
CID 170275951
N'-prop-2-enyl-N'-propylethane-1,2-diamine
CID 54159625
N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride
CID 88725807

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine?
The IUPAC name of N,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine (CID 21275121) is N,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine.
What is the SMILES notation for N,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine?
The canonical SMILES for N,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine is C=CCN(CC)CN(CC)CC=C.
What is the InChIKey of N,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine?
The InChIKey is HHTBJRCNRRPLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-9-12(7-3)11-13(8-4)10-6-2/h5-6H,1-2,7-11H2,3-4H3.
What are the key properties of N,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine?
N,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine has a molecular weight of 182.31 g/mol, XLogP of 1.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine is sourced from PubChem (CID 21275121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).