(E)-N,N,2-trimethylpent-3-en-2-amine

C8H17N — CID 177230336

IUPAC(E)-N,N,2-trimethylpent-3-en-2-amine
SMILESC/C=C/C(C)(C)N(C)C
InChIInChI=1S/C8H17N/c1-6-7-8(2,3)9(4)5/h6-7H,1-5H3/b7-6+
InChIKeyMOFURCBUTMZVIS-VOTSOKGWSA-N
MW127.23 g/mol
LogP1.90
Rot. Bonds2

About (E)-N,N,2-trimethylpent-3-en-2-amine

(E)-N,N,2-trimethylpent-3-en-2-amine (PubChem CID 177230336) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (E)-N,N,2-trimethylpent-3-en-2-amine.

Molecular Properties

Compound Name(E)-N,N,2-trimethylpent-3-en-2-amine
PubChem CID177230336
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(E)-N,N,2-trimethylpent-3-en-2-amine
SMILESC/C=C/C(C)(C)N(C)C
InChIInChI=1S/C8H17N/c1-6-7-8(2,3)9(4)5/h6-7H,1-5H3/b7-6+
InChIKeyMOFURCBUTMZVIS-VOTSOKGWSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N,N,2-trimethylpent-3-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N,N,2-trimethylpent-3-en-2-amine
CID 154549060
N,N,2-trimethylbut-3-en-2-amine
CID 20672931
(E)-4,4-dimethylpent-2-ene
CID 159305896
pent-3-ene-2,2-diamine
CID 154022958
N-ethenyl-N,2-dimethylpropan-2-amine
CID 15241889
3,9-diethyl-N,N,9-trimethyldodec-10-en-3-amine
CID 167154849
2,2-dimethylpent-3-enethial
CID 54417783
N,N,2-trimethylpropan-2-amine;hydrobromide
CID 175344669
3,3-dimethylhex-4-en-2-ol
CID 85445269
(E)-3,3-dimethylhex-4-en-2-ol
CID 12835180
(Z)-2,2-dimethylpent-3-enenitrile
CID 154451145
(E)-4,4,6,6-tetramethylhept-2-ene
CID 20870209

Frequently Asked Questions

What is the IUPAC name of (E)-N,N,2-trimethylpent-3-en-2-amine?
The IUPAC name of (E)-N,N,2-trimethylpent-3-en-2-amine (CID 177230336) is (E)-N,N,2-trimethylpent-3-en-2-amine.
What is the SMILES notation for (E)-N,N,2-trimethylpent-3-en-2-amine?
The canonical SMILES for (E)-N,N,2-trimethylpent-3-en-2-amine is C/C=C/C(C)(C)N(C)C.
What is the InChIKey of (E)-N,N,2-trimethylpent-3-en-2-amine?
The InChIKey is MOFURCBUTMZVIS-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H17N/c1-6-7-8(2,3)9(4)5/h6-7H,1-5H3/b7-6+.
What are the key properties of (E)-N,N,2-trimethylpent-3-en-2-amine?
(E)-N,N,2-trimethylpent-3-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,2-trimethylpent-3-en-2-amine is sourced from PubChem (CID 177230336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).