(Z)-3,6-dimethylhept-3-en-1-amine

C9H19N — CID 178015880

IUPAC(Z)-3,6-dimethylhept-3-en-1-amine
SMILESC/C(=C/CC(C)C)CCN
InChIInChI=1S/C9H19N/c1-8(2)4-5-9(3)6-7-10/h5,8H,4,6-7,10H2,1-3H3/b9-5-
InChIKeyHJOIRIYVOYCXSR-UITAMQMPSA-N
MW141.26 g/mol
LogP2.33
Rot. Bonds4

About (Z)-3,6-dimethylhept-3-en-1-amine

(Z)-3,6-dimethylhept-3-en-1-amine (PubChem CID 178015880) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (Z)-3,6-dimethylhept-3-en-1-amine.

Molecular Properties

Compound Name(Z)-3,6-dimethylhept-3-en-1-amine
PubChem CID178015880
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(Z)-3,6-dimethylhept-3-en-1-amine
SMILESC/C(=C/CC(C)C)CCN
InChIInChI=1S/C9H19N/c1-8(2)4-5-9(3)6-7-10/h5,8H,4,6-7,10H2,1-3H3/b9-5-
InChIKeyHJOIRIYVOYCXSR-UITAMQMPSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,5-dimethyloct-4-ene
CID 173056267
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
5-amino-3-methylpent-2-en-1-ol
CID 167443308
(E)-2,5,9-trimethylundec-4-ene
CID 157140245
(5E,9E)-N-tert-butyl-5,9,12-trimethyltrideca-5,9-dien-2-imine
CID 138650644
4,6-dimethylhept-3-en-1-amine
CID 76997294
(E)-1-amino-4-methylpent-1-ene-1-thiol
CID 166985345
(Z)-4,7-dimethylnon-4-ene
CID 143531390
(E)-2,2,3,6-tetramethylhept-3-ene
CID 13070117
3-(3-methylbutylidene)pentane-2,4-dione
CID 12838642
2,8-dimethyl-5-(3-methylbutyl)non-4-ene
CID 19035560
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-triene-1,2-diamine
CID 90116637

Frequently Asked Questions

What is the IUPAC name of (Z)-3,6-dimethylhept-3-en-1-amine?
The IUPAC name of (Z)-3,6-dimethylhept-3-en-1-amine (CID 178015880) is (Z)-3,6-dimethylhept-3-en-1-amine.
What is the SMILES notation for (Z)-3,6-dimethylhept-3-en-1-amine?
The canonical SMILES for (Z)-3,6-dimethylhept-3-en-1-amine is C/C(=C/CC(C)C)CCN.
What is the InChIKey of (Z)-3,6-dimethylhept-3-en-1-amine?
The InChIKey is HJOIRIYVOYCXSR-UITAMQMPSA-N. The full InChI is InChI=1S/C9H19N/c1-8(2)4-5-9(3)6-7-10/h5,8H,4,6-7,10H2,1-3H3/b9-5-.
What are the key properties of (Z)-3,6-dimethylhept-3-en-1-amine?
(Z)-3,6-dimethylhept-3-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,6-dimethylhept-3-en-1-amine is sourced from PubChem (CID 178015880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).