(Z)-2,4,5-trimethylhex-2-en-1-amine

C9H19N — CID 131259023

IUPAC(Z)-2,4,5-trimethylhex-2-en-1-amine
SMILESC/C(=C/C(C)C(C)C)CN
InChIInChI=1S/C9H19N/c1-7(2)9(4)5-8(3)6-10/h5,7,9H,6,10H2,1-4H3/b8-5-
InChIKeyBPFROGUHCOPEDN-YVMONPNESA-N
MW141.26 g/mol
LogP2.18
Rot. Bonds3

About (Z)-2,4,5-trimethylhex-2-en-1-amine

(Z)-2,4,5-trimethylhex-2-en-1-amine (PubChem CID 131259023) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (Z)-2,4,5-trimethylhex-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2,4,5-trimethylhex-2-en-1-amine
PubChem CID131259023
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(Z)-2,4,5-trimethylhex-2-en-1-amine
SMILESC/C(=C/C(C)C(C)C)CN
InChIInChI=1S/C9H19N/c1-7(2)9(4)5-8(3)6-10/h5,7,9H,6,10H2,1-4H3/b8-5-
InChIKeyBPFROGUHCOPEDN-YVMONPNESA-N
XLogP2.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.18
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

ethane;(E)-2-methylbut-2-en-1-amine
CID 143126419
1-ethyl-1-(4,6,7-trimethyloct-4-en-2-yl)cyclopropane
CID 123800204
(Z)-1,6-difluoro-2,4,5-trimethylhex-2-ene
CID 143009364
diethyl 2-(2,3-dimethylbutylidene)propanedioate
CID 90311904
(2E)-2,4-dimethylpenta-2,4-dien-1-amine
CID 126656213
(Z)-3-methoxy-2-methylprop-2-en-1-amine
CID 171800320
2,4,4-trimethylpent-2-en-1-amine
CID 79330157
aminomethyl-dihydroxy-methylphosphanium
CID 6395030
(Z)-3-methoxy-5,6-dimethylhept-3-ene
CID 143080239
(Z)-3,6-dimethylhept-3-en-1-amine
CID 178015880
2,4,6-trimethylhept-5-en-3-amine
CID 58879101
2,3-dimethyl-N-[(E)-2-methylbut-2-enyl]butan-1-imine
CID 129281587

Frequently Asked Questions

What is the IUPAC name of (Z)-2,4,5-trimethylhex-2-en-1-amine?
The IUPAC name of (Z)-2,4,5-trimethylhex-2-en-1-amine (CID 131259023) is (Z)-2,4,5-trimethylhex-2-en-1-amine.
What is the SMILES notation for (Z)-2,4,5-trimethylhex-2-en-1-amine?
The canonical SMILES for (Z)-2,4,5-trimethylhex-2-en-1-amine is C/C(=C/C(C)C(C)C)CN.
What is the InChIKey of (Z)-2,4,5-trimethylhex-2-en-1-amine?
The InChIKey is BPFROGUHCOPEDN-YVMONPNESA-N. The full InChI is InChI=1S/C9H19N/c1-7(2)9(4)5-8(3)6-10/h5,7,9H,6,10H2,1-4H3/b8-5-.
What are the key properties of (Z)-2,4,5-trimethylhex-2-en-1-amine?
(Z)-2,4,5-trimethylhex-2-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,4,5-trimethylhex-2-en-1-amine is sourced from PubChem (CID 131259023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).