2,5,5-trimethylhex-2-en-1-amine

C9H19N — CID 103392273

IUPAC2,5,5-trimethylhex-2-en-1-amine
SMILESCC(=CCC(C)(C)C)CN
InChIInChI=1S/C9H19N/c1-8(7-10)5-6-9(2,3)4/h5H,6-7,10H2,1-4H3
InChIKeyIRTGWKIINQTFMX-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.33
Rot. Bonds2

About 2,5,5-trimethylhex-2-en-1-amine

2,5,5-trimethylhex-2-en-1-amine (PubChem CID 103392273) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2,5,5-trimethylhex-2-en-1-amine.

Molecular Properties

Compound Name2,5,5-trimethylhex-2-en-1-amine
PubChem CID103392273
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2,5,5-trimethylhex-2-en-1-amine
SMILESCC(=CCC(C)(C)C)CN
InChIInChI=1S/C9H19N/c1-8(7-10)5-6-9(2,3)4/h5H,6-7,10H2,1-4H3
InChIKeyIRTGWKIINQTFMX-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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)-2,5,5-trimethylhex-2-en-1-ol
CID 12603028
(Z)-2,2,4,7,7-pentamethyloct-4-ene;(E)-2,2,4,7,7-pentamethyloct-4-ene;2,5,5-trimethylhex-2-ene
CID 158213793
(E)-5,5-dimethyl-2-(trifluoromethyl)hex-2-en-1-amine
CID 162590268
ethane;(E)-2-methylbut-2-en-1-amine
CID 143126419
2,4,4-trimethylpent-2-en-1-amine
CID 79330157
(6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene
CID 163844448
(E)-2,6-diamino-2-(fluoromethyl)-5-methylhex-4-enoic acid
CID 88705955
(E)-2,6-diamino-2-(difluoromethyl)-5-methylhex-4-enoic acid
CID 88706843
(3Z)-3,6,6-trimethylhepta-1,3-diene
CID 143290356
2-methylhex-2-en-5-yn-1-amine
CID 103392278
(E)-2,2,5,9,13-pentamethyltetradec-4-ene
CID 58883085
4,8,8-trimethylnona-3,5-diene
CID 123895816

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethylhex-2-en-1-amine?
The IUPAC name of 2,5,5-trimethylhex-2-en-1-amine (CID 103392273) is 2,5,5-trimethylhex-2-en-1-amine.
What is the SMILES notation for 2,5,5-trimethylhex-2-en-1-amine?
The canonical SMILES for 2,5,5-trimethylhex-2-en-1-amine is CC(=CCC(C)(C)C)CN.
What is the InChIKey of 2,5,5-trimethylhex-2-en-1-amine?
The InChIKey is IRTGWKIINQTFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-8(7-10)5-6-9(2,3)4/h5H,6-7,10H2,1-4H3.
What are the key properties of 2,5,5-trimethylhex-2-en-1-amine?
2,5,5-trimethylhex-2-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethylhex-2-en-1-amine is sourced from PubChem (CID 103392273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).