(Z,3S,6S)-2,7-dimethyloct-4-ene-3,6-diamine

C10H22N2 — CID 101163776

IUPAC(Z,3S,6S)-2,7-dimethyloct-4-ene-3,6-diamine
SMILESCC(C)[C@H](N)/C=C\[C@@H](N)C(C)C
InChIInChI=1S/C10H22N2/c1-7(2)9(11)5-6-10(12)8(3)4/h5-10H,11-12H2,1-4H3/b6-5-/t9-,10-/m1/s1
InChIKeyILXUTXODYRYRCZ-KWMOZEJZSA-N
MW170.30 g/mol
LogP1.51
Rot. Bonds4

About (Z,3S,6S)-2,7-dimethyloct-4-ene-3,6-diamine

(Z,3S,6S)-2,7-dimethyloct-4-ene-3,6-diamine (PubChem CID 101163776) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (Z,3S,6S)-2,7-dimethyloct-4-ene-3,6-diamine.

Molecular Properties

Compound Name(Z,3S,6S)-2,7-dimethyloct-4-ene-3,6-diamine
PubChem CID101163776
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(Z,3S,6S)-2,7-dimethyloct-4-ene-3,6-diamine
SMILESCC(C)[C@H](N)/C=C\[C@@H](N)C(C)C
InChIInChI=1S/C10H22N2/c1-7(2)9(11)5-6-10(12)8(3)4/h5-10H,11-12H2,1-4H3/b6-5-/t9-,10-/m1/s1
InChIKeyILXUTXODYRYRCZ-KWMOZEJZSA-N
XLogP1.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-amino-4-methylpent-1-enyl]phosphonic acid
CID 14924303
(2R)-2-amino-3-methylbutanal;ethane
CID 158862704
(5E)-3,8-dimethyldeca-1,5,9-triene-4,7-diamine
CID 100988529
(2R)-3-methylbutan-2-amine
CID 6999786
(2S)-3-methylbutan-2-amine;2-methylpropane
CID 161042679
(E)-4-amino-2,5-dimethylhex-2-enoic acid
CID 22922617
(E)-5-methylhex-3-en-2-amine
CID 103668442
(E)-pent-3-en-2-amine
CID 13149669
(E,6R)-2,3,6,7-tetramethyloct-4-ene
CID 58933362
(2R)-2-deuterio-3-methylbutan-2-amine
CID 122205559
ethane-1,1-diamine;tetrahydrochloride
CID 142050640
(3R)-butane-2,3-diamine
CID 172719520

Frequently Asked Questions

What is the IUPAC name of (Z,3S,6S)-2,7-dimethyloct-4-ene-3,6-diamine?
The IUPAC name of (Z,3S,6S)-2,7-dimethyloct-4-ene-3,6-diamine (CID 101163776) is (Z,3S,6S)-2,7-dimethyloct-4-ene-3,6-diamine.
What is the SMILES notation for (Z,3S,6S)-2,7-dimethyloct-4-ene-3,6-diamine?
The canonical SMILES for (Z,3S,6S)-2,7-dimethyloct-4-ene-3,6-diamine is CC(C)[C@H](N)/C=C\[C@@H](N)C(C)C.
What is the InChIKey of (Z,3S,6S)-2,7-dimethyloct-4-ene-3,6-diamine?
The InChIKey is ILXUTXODYRYRCZ-KWMOZEJZSA-N. The full InChI is InChI=1S/C10H22N2/c1-7(2)9(11)5-6-10(12)8(3)4/h5-10H,11-12H2,1-4H3/b6-5-/t9-,10-/m1/s1.
What are the key properties of (Z,3S,6S)-2,7-dimethyloct-4-ene-3,6-diamine?
(Z,3S,6S)-2,7-dimethyloct-4-ene-3,6-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S,6S)-2,7-dimethyloct-4-ene-3,6-diamine is sourced from PubChem (CID 101163776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).