(Z,5S)-2-methylidenehept-3-ene-1,5-diamine

C8H16N2 — CID 88576504

IUPAC(Z,5S)-2-methylidenehept-3-ene-1,5-diamine
SMILESC=C(/C=C\[C@@H](N)CC)CN
InChIInChI=1S/C8H16N2/c1-3-8(10)5-4-7(2)6-9/h4-5,8H,2-3,6,9-10H2,1H3/b5-4-/t8-/m0/s1
InChIKeySHEVRQUKNZMBKB-LGYSABEFSA-N
MW140.23 g/mol
LogP0.79
Rot. Bonds4

About (Z,5S)-2-methylidenehept-3-ene-1,5-diamine

(Z,5S)-2-methylidenehept-3-ene-1,5-diamine (PubChem CID 88576504) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (Z,5S)-2-methylidenehept-3-ene-1,5-diamine.

Molecular Properties

Compound Name(Z,5S)-2-methylidenehept-3-ene-1,5-diamine
PubChem CID88576504
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(Z,5S)-2-methylidenehept-3-ene-1,5-diamine
SMILESC=C(/C=C\[C@@H](N)CC)CN
InChIInChI=1S/C8H16N2/c1-3-8(10)5-4-7(2)6-9/h4-5,8H,2-3,6,9-10H2,1H3/b5-4-/t8-/m0/s1
InChIKeySHEVRQUKNZMBKB-LGYSABEFSA-N
XLogP0.79
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,5S)-2-methylidenehept-3-ene-1,5-diamine?
The IUPAC name of (Z,5S)-2-methylidenehept-3-ene-1,5-diamine (CID 88576504) is (Z,5S)-2-methylidenehept-3-ene-1,5-diamine.
What is the SMILES notation for (Z,5S)-2-methylidenehept-3-ene-1,5-diamine?
The canonical SMILES for (Z,5S)-2-methylidenehept-3-ene-1,5-diamine is C=C(/C=C\[C@@H](N)CC)CN.
What is the InChIKey of (Z,5S)-2-methylidenehept-3-ene-1,5-diamine?
The InChIKey is SHEVRQUKNZMBKB-LGYSABEFSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-8(10)5-4-7(2)6-9/h4-5,8H,2-3,6,9-10H2,1H3/b5-4-/t8-/m0/s1.
What are the key properties of (Z,5S)-2-methylidenehept-3-ene-1,5-diamine?
(Z,5S)-2-methylidenehept-3-ene-1,5-diamine has a molecular weight of 140.23 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5S)-2-methylidenehept-3-ene-1,5-diamine is sourced from PubChem (CID 88576504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).