N,N'-bis(prop-1-en-2-yl)methanediamine

C7H14N2 — CID 20769495

IUPACN,N'-bis(prop-1-en-2-yl)methanediamine
SMILESC=C(C)NCNC(=C)C
InChIInChI=1S/C7H14N2/c1-6(2)8-5-9-7(3)4/h8-9H,1,3,5H2,2,4H3
InChIKeyDOZPCESIMCPLLN-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.19
Rot. Bonds4

About N,N'-bis(prop-1-en-2-yl)methanediamine

N,N'-bis(prop-1-en-2-yl)methanediamine (PubChem CID 20769495) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N,N'-bis(prop-1-en-2-yl)methanediamine.

Molecular Properties

Compound NameN,N'-bis(prop-1-en-2-yl)methanediamine
PubChem CID20769495
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN,N'-bis(prop-1-en-2-yl)methanediamine
SMILESC=C(C)NCNC(=C)C
InChIInChI=1S/C7H14N2/c1-6(2)8-5-9-7(3)4/h8-9H,1,3,5H2,2,4H3
InChIKeyDOZPCESIMCPLLN-UHFFFAOYSA-N
XLogP1.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-1,2,3,4-tetrahydropyrimidine
CID 5231975
2,2,3-trideuterio-5-methyl-1H-imidazole
CID 169087639
N'-(3-fluoroprop-1-en-2-yl)methanediamine
CID 139430564
4-methyl-2,3-dihydro-1H-imidazole
CID 3015150
2,4-dimethyl-2,3-dihydro-1H-imidazole
CID 18722279
1-N'-prop-1-en-2-ylethene-1,1-diamine
CID 23197162
3-Iodo-5-methyl-1,2-dihydroimidazole
CID 53445871
3,4,5-trimethyl-2-methylidene-1H-imidazole
CID 54255425
1-N-methyl-1-N'-propan-2-ylethene-1,1-diamine
CID 57776547
3,4-dimethyl-2-methylidene-1H-imidazole
CID 59083247
3,5-dimethyl-2-methylidene-1H-imidazole
CID 59083248
3,4-Dimethyl-1,2-dihydroimidazole
CID 66657000

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(prop-1-en-2-yl)methanediamine?
The IUPAC name of N,N'-bis(prop-1-en-2-yl)methanediamine (CID 20769495) is N,N'-bis(prop-1-en-2-yl)methanediamine.
What is the SMILES notation for N,N'-bis(prop-1-en-2-yl)methanediamine?
The canonical SMILES for N,N'-bis(prop-1-en-2-yl)methanediamine is C=C(C)NCNC(=C)C.
What is the InChIKey of N,N'-bis(prop-1-en-2-yl)methanediamine?
The InChIKey is DOZPCESIMCPLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)8-5-9-7(3)4/h8-9H,1,3,5H2,2,4H3.
What are the key properties of N,N'-bis(prop-1-en-2-yl)methanediamine?
N,N'-bis(prop-1-en-2-yl)methanediamine has a molecular weight of 126.20 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(prop-1-en-2-yl)methanediamine is sourced from PubChem (CID 20769495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).