2,4,6-trimethylhept-5-en-3-amine

C10H21N — CID 58879101

IUPAC2,4,6-trimethylhept-5-en-3-amine
SMILESCC(C)=CC(C)C(N)C(C)C
InChIInChI=1S/C10H21N/c1-7(2)6-9(5)10(11)8(3)4/h6,8-10H,11H2,1-5H3
InChIKeyPVBOGZOIHVLGHF-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.57
Rot. Bonds3

About 2,4,6-trimethylhept-5-en-3-amine

2,4,6-trimethylhept-5-en-3-amine (PubChem CID 58879101) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 2,4,6-trimethylhept-5-en-3-amine.

Molecular Properties

Compound Name2,4,6-trimethylhept-5-en-3-amine
PubChem CID58879101
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name2,4,6-trimethylhept-5-en-3-amine
SMILESCC(C)=CC(C)C(N)C(C)C
InChIInChI=1S/C10H21N/c1-7(2)6-9(5)10(11)8(3)4/h6,8-10H,11H2,1-5H3
InChIKeyPVBOGZOIHVLGHF-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.57
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

(2S,3S)-2,3,5-trimethylhex-4-en-1-ol
CID 118549067
(4R)-2,4,5,5-tetramethylhex-2-ene
CID 172513214
4-chloro-2-methylpent-2-ene
CID 12535659
(4S)-4-ethyl-2,5-dimethylhex-2-ene
CID 59076460
2,4-dimethylpent-3-enoic acid;hydrochloride
CID 175476530
(Z)-2,4,5-trimethylhex-2-en-1-amine
CID 131259023
(4R,6S)-2,4,6,7-tetramethyloct-2-ene
CID 59787440
4-methylpent-3-en-2-amine;trifluoromethanesulfonamide
CID 87993169
1-fluoro-2-(4-methylpent-3-en-2-yloxy)benzene
CID 134448627
(4R)-2,4-dimethylhex-2-ene
CID 142611901
(E,5R)-5-amino-2-methylhex-3-en-3-ol
CID 163696566
(Z)-4-aminopent-2-en-2-ol;ethane
CID 143707909

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylhept-5-en-3-amine?
The IUPAC name of 2,4,6-trimethylhept-5-en-3-amine (CID 58879101) is 2,4,6-trimethylhept-5-en-3-amine.
What is the SMILES notation for 2,4,6-trimethylhept-5-en-3-amine?
The canonical SMILES for 2,4,6-trimethylhept-5-en-3-amine is CC(C)=CC(C)C(N)C(C)C.
What is the InChIKey of 2,4,6-trimethylhept-5-en-3-amine?
The InChIKey is PVBOGZOIHVLGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-7(2)6-9(5)10(11)8(3)4/h6,8-10H,11H2,1-5H3.
What are the key properties of 2,4,6-trimethylhept-5-en-3-amine?
2,4,6-trimethylhept-5-en-3-amine has a molecular weight of 155.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylhept-5-en-3-amine is sourced from PubChem (CID 58879101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).