N,N'-dimethyl-N'-prop-1-en-2-ylethane-1,2-diamine

C7H16N2 — CID 59949769

IUPACN,N'-dimethyl-N'-prop-1-en-2-ylethane-1,2-diamine
SMILESC=C(C)N(C)CCNC
InChIInChI=1S/C7H16N2/c1-7(2)9(4)6-5-8-3/h8H,1,5-6H2,2-4H3
InChIKeyLDMNJKZQPCUTTC-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.67
Rot. Bonds4

About N,N'-dimethyl-N'-prop-1-en-2-ylethane-1,2-diamine

N,N'-dimethyl-N'-prop-1-en-2-ylethane-1,2-diamine (PubChem CID 59949769) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N,N'-dimethyl-N'-prop-1-en-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-prop-1-en-2-ylethane-1,2-diamine
PubChem CID59949769
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN,N'-dimethyl-N'-prop-1-en-2-ylethane-1,2-diamine
SMILESC=C(C)N(C)CCNC
InChIInChI=1S/C7H16N2/c1-7(2)9(4)6-5-8-3/h8H,1,5-6H2,2-4H3
InChIKeyLDMNJKZQPCUTTC-UHFFFAOYSA-N
XLogP0.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-prop-1-en-2-ylethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-prop-1-en-2-ylethane-1,2-diamine (CID 59949769) is N,N'-dimethyl-N'-prop-1-en-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-prop-1-en-2-ylethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-prop-1-en-2-ylethane-1,2-diamine is C=C(C)N(C)CCNC.
What is the InChIKey of N,N'-dimethyl-N'-prop-1-en-2-ylethane-1,2-diamine?
The InChIKey is LDMNJKZQPCUTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(2)9(4)6-5-8-3/h8H,1,5-6H2,2-4H3.
What are the key properties of N,N'-dimethyl-N'-prop-1-en-2-ylethane-1,2-diamine?
N,N'-dimethyl-N'-prop-1-en-2-ylethane-1,2-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-prop-1-en-2-ylethane-1,2-diamine is sourced from PubChem (CID 59949769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).