hept-3-ene-1,3,4,7-tetramine

C7H18N4 — CID 173227942

IUPAChept-3-ene-1,3,4,7-tetramine
SMILESNCCCC(N)=C(N)CCN
InChIInChI=1S/C7H18N4/c8-4-1-2-6(10)7(11)3-5-9/h1-5,8-11H2
InChIKeyYTQAZAFRHYWZLI-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.80
Rot. Bonds5

About hept-3-ene-1,3,4,7-tetramine

hept-3-ene-1,3,4,7-tetramine (PubChem CID 173227942) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is hept-3-ene-1,3,4,7-tetramine.

Molecular Properties

Compound Namehept-3-ene-1,3,4,7-tetramine
PubChem CID173227942
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC Namehept-3-ene-1,3,4,7-tetramine
SMILESNCCCC(N)=C(N)CCN
InChIInChI=1S/C7H18N4/c8-4-1-2-6(10)7(11)3-5-9/h1-5,8-11H2
InChIKeyYTQAZAFRHYWZLI-UHFFFAOYSA-N
XLogP-0.80
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of hept-3-ene-1,3,4,7-tetramine?
The IUPAC name of hept-3-ene-1,3,4,7-tetramine (CID 173227942) is hept-3-ene-1,3,4,7-tetramine.
What is the SMILES notation for hept-3-ene-1,3,4,7-tetramine?
The canonical SMILES for hept-3-ene-1,3,4,7-tetramine is NCCCC(N)=C(N)CCN.
What is the InChIKey of hept-3-ene-1,3,4,7-tetramine?
The InChIKey is YTQAZAFRHYWZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4/c8-4-1-2-6(10)7(11)3-5-9/h1-5,8-11H2.
What are the key properties of hept-3-ene-1,3,4,7-tetramine?
hept-3-ene-1,3,4,7-tetramine has a molecular weight of 158.25 g/mol, XLogP of -0.80, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hept-3-ene-1,3,4,7-tetramine is sourced from PubChem (CID 173227942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).