(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine

C11H22N2 — CID 123193034

IUPAC(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine
SMILESC/N=C/C=C(\CCCNC)C(C)C
InChIInChI=1S/C11H22N2/c1-10(2)11(7-9-13-4)6-5-8-12-3/h7,9-10,12H,5-6,8H2,1-4H3/b11-7+,13-9+
InChIKeyLRJKMIHNNDSIMD-IKHCGPGZSA-N
MW182.31 g/mol
LogP2.27
Rot. Bonds6

About (E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine

(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine (PubChem CID 123193034) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine
PubChem CID123193034
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine
SMILESC/N=C/C=C(\CCCNC)C(C)C
InChIInChI=1S/C11H22N2/c1-10(2)11(7-9-13-4)6-5-8-12-3/h7,9-10,12H,5-6,8H2,1-4H3/b11-7+,13-9+
InChIKeyLRJKMIHNNDSIMD-IKHCGPGZSA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-ethyl-N,4-dimethyl-6-(methylamino)hex-2-enimidoyl fluoride
CID 143782064
N-methyl-3-(2-methylpyrrol-2-yl)propan-1-amine
CID 90823842
5-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91459524
(E)-N-(2-ethyliminoethyl)-N'-methyl-4-propylpent-2-ene-1,5-diamine
CID 117913840
2-(2,3-dihydropyridin-3-yl)-N-methylethanamine
CID 123156694
N-methyl-2-(3-methyl-4-methyliminocyclopent-2-en-1-yl)ethanamine
CID 123472772
3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine
CID 123487173
[2-(Azetidin-3-yl)-4-methylhex-4-en-3-ylidene]-methylideneazanium
CID 123518637
N'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine
CID 123571231
3-Methanimidoyl-5-methyloct-5-en-1-amine
CID 123629211
1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine
CID 123641838
(Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine
CID 123691013

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine?
The IUPAC name of (E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine (CID 123193034) is (E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine.
What is the SMILES notation for (E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine?
The canonical SMILES for (E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine is C/N=C/C=C(\CCCNC)C(C)C.
What is the InChIKey of (E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine?
The InChIKey is LRJKMIHNNDSIMD-IKHCGPGZSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2)11(7-9-13-4)6-5-8-12-3/h7,9-10,12H,5-6,8H2,1-4H3/b11-7+,13-9+.
What are the key properties of (E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine?
(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine is sourced from PubChem (CID 123193034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).