3-N,3-N-dimethylhex-5-ene-1,3-diamine

C8H18N2 — CID 87074898

IUPAC3-N,3-N-dimethylhex-5-ene-1,3-diamine
SMILESC=CCC(CCN)N(C)C
InChIInChI=1S/C8H18N2/c1-4-5-8(6-7-9)10(2)3/h4,8H,1,5-7,9H2,2-3H3
InChIKeyVBFLOMRMCNVNOP-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.84
Rot. Bonds5

About 3-N,3-N-dimethylhex-5-ene-1,3-diamine

3-N,3-N-dimethylhex-5-ene-1,3-diamine (PubChem CID 87074898) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 3-N,3-N-dimethylhex-5-ene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethylhex-5-ene-1,3-diamine
PubChem CID87074898
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name3-N,3-N-dimethylhex-5-ene-1,3-diamine
SMILESC=CCC(CCN)N(C)C
InChIInChI=1S/C8H18N2/c1-4-5-8(6-7-9)10(2)3/h4,8H,1,5-7,9H2,2-3H3
InChIKeyVBFLOMRMCNVNOP-UHFFFAOYSA-N
XLogP0.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethylhex-5-ene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethylhex-5-ene-1,3-diamine (CID 87074898) is 3-N,3-N-dimethylhex-5-ene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethylhex-5-ene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethylhex-5-ene-1,3-diamine is C=CCC(CCN)N(C)C.
What is the InChIKey of 3-N,3-N-dimethylhex-5-ene-1,3-diamine?
The InChIKey is VBFLOMRMCNVNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-5-8(6-7-9)10(2)3/h4,8H,1,5-7,9H2,2-3H3.
What are the key properties of 3-N,3-N-dimethylhex-5-ene-1,3-diamine?
3-N,3-N-dimethylhex-5-ene-1,3-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethylhex-5-ene-1,3-diamine is sourced from PubChem (CID 87074898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).