5-N-methylhexa-1,5-diene-2,5-diamine

C7H14N2 — CID 143719548

IUPAC5-N-methylhexa-1,5-diene-2,5-diamine
SMILESC=C(N)CCC(=C)NC
InChIInChI=1S/C7H14N2/c1-6(8)4-5-7(2)9-3/h9H,1-2,4-5,8H2,3H3
InChIKeyDNEDJLHLRCRXHL-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.97
Rot. Bonds4

About 5-N-methylhexa-1,5-diene-2,5-diamine

5-N-methylhexa-1,5-diene-2,5-diamine (PubChem CID 143719548) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 5-N-methylhexa-1,5-diene-2,5-diamine.

Molecular Properties

Compound Name5-N-methylhexa-1,5-diene-2,5-diamine
PubChem CID143719548
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name5-N-methylhexa-1,5-diene-2,5-diamine
SMILESC=C(N)CCC(=C)NC
InChIInChI=1S/C7H14N2/c1-6(8)4-5-7(2)9-3/h9H,1-2,4-5,8H2,3H3
InChIKeyDNEDJLHLRCRXHL-UHFFFAOYSA-N
XLogP0.97
TPSA38.05 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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-N-methylhexa-1,5-diene-2,5-diamine?
The IUPAC name of 5-N-methylhexa-1,5-diene-2,5-diamine (CID 143719548) is 5-N-methylhexa-1,5-diene-2,5-diamine.
What is the SMILES notation for 5-N-methylhexa-1,5-diene-2,5-diamine?
The canonical SMILES for 5-N-methylhexa-1,5-diene-2,5-diamine is C=C(N)CCC(=C)NC.
What is the InChIKey of 5-N-methylhexa-1,5-diene-2,5-diamine?
The InChIKey is DNEDJLHLRCRXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(8)4-5-7(2)9-3/h9H,1-2,4-5,8H2,3H3.
What are the key properties of 5-N-methylhexa-1,5-diene-2,5-diamine?
5-N-methylhexa-1,5-diene-2,5-diamine has a molecular weight of 126.20 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methylhexa-1,5-diene-2,5-diamine is sourced from PubChem (CID 143719548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).