(E)-N,5-dimethyl-N-propan-2-ylhex-2-en-1-amine

C11H23N — CID 59059957

IUPAC(E)-N,5-dimethyl-N-propan-2-ylhex-2-en-1-amine
SMILESCC(C)C/C=C/CN(C)C(C)C
InChIInChI=1S/C11H23N/c1-10(2)8-6-7-9-12(5)11(3)4/h6-7,10-11H,8-9H2,1-5H3/b7-6+
InChIKeyLQQSCQLWMZITED-VOTSOKGWSA-N
MW169.31 g/mol
LogP2.93
Rot. Bonds5

About (E)-N,5-dimethyl-N-propan-2-ylhex-2-en-1-amine

(E)-N,5-dimethyl-N-propan-2-ylhex-2-en-1-amine (PubChem CID 59059957) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (E)-N,5-dimethyl-N-propan-2-ylhex-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,5-dimethyl-N-propan-2-ylhex-2-en-1-amine
PubChem CID59059957
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(E)-N,5-dimethyl-N-propan-2-ylhex-2-en-1-amine
SMILESCC(C)C/C=C/CN(C)C(C)C
InChIInChI=1S/C11H23N/c1-10(2)8-6-7-9-12(5)11(3)4/h6-7,10-11H,8-9H2,1-5H3/b7-6+
InChIKeyLQQSCQLWMZITED-VOTSOKGWSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dropempine
CID 65785
(2z,6z)-N,N,N',N'-tetraisopropylocta-2,6-diene-1,8-diamine
CID 129748146
1,3,6-trimethyl-3,6-dihydro-2H-pyridine
CID 57699449
3-Octen-2-amine, N,N-dimethyl-, (E)-
CID 5372576
(Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine
CID 146200231
(Z)-1-fluoro-N,N,5-trimethylhex-3-en-2-amine
CID 146586946
1-(2-fluoroethyl)-2-[(E)-pent-1-enyl]-2,5-dihydropyrrole
CID 164922123
1,1-Dimethyl-2,6-bis(prop-2-EN-1-YL)-1,2,3,6-tetrahydropyridin-1-ium
CID 7187916
2,2,6,6-tetramethyl-1-propan-2-yl-3H-pyridine
CID 155933595
5-fluoro-1-(3-methylbutan-2-yl)-3,6-dihydro-2H-pyridine
CID 130831235
4-fluoro-6-methyl-1-(3-methylbutan-2-yl)-3,6-dihydro-2H-pyridine
CID 170594662
N,N-diethyl-5,5-dimethylhex-2-en-1-amine
CID 170847589

Frequently Asked Questions

What is the IUPAC name of (E)-N,5-dimethyl-N-propan-2-ylhex-2-en-1-amine?
The IUPAC name of (E)-N,5-dimethyl-N-propan-2-ylhex-2-en-1-amine (CID 59059957) is (E)-N,5-dimethyl-N-propan-2-ylhex-2-en-1-amine.
What is the SMILES notation for (E)-N,5-dimethyl-N-propan-2-ylhex-2-en-1-amine?
The canonical SMILES for (E)-N,5-dimethyl-N-propan-2-ylhex-2-en-1-amine is CC(C)C/C=C/CN(C)C(C)C.
What is the InChIKey of (E)-N,5-dimethyl-N-propan-2-ylhex-2-en-1-amine?
The InChIKey is LQQSCQLWMZITED-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H23N/c1-10(2)8-6-7-9-12(5)11(3)4/h6-7,10-11H,8-9H2,1-5H3/b7-6+.
What are the key properties of (E)-N,5-dimethyl-N-propan-2-ylhex-2-en-1-amine?
(E)-N,5-dimethyl-N-propan-2-ylhex-2-en-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,5-dimethyl-N-propan-2-ylhex-2-en-1-amine is sourced from PubChem (CID 59059957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).