(Z)-3-methanimidoyl-2,2,6-trimethylhept-3-en-4-amine

C11H22N2 — CID 176949757

IUPAC(Z)-3-methanimidoyl-2,2,6-trimethylhept-3-en-4-amine
SMILES[H]/N=C/C(=C(\N)CC(C)C)C(C)(C)C
InChIInChI=1S/C11H22N2/c1-8(2)6-10(13)9(7-12)11(3,4)5/h7-8,12H,6,13H2,1-5H3/b10-9+,12-7+
InChIKeyFKWAKRGMQCKUIH-YQDZKPHZSA-N
MW182.31 g/mol
LogP2.94
Rot. Bonds3

About (Z)-3-methanimidoyl-2,2,6-trimethylhept-3-en-4-amine

(Z)-3-methanimidoyl-2,2,6-trimethylhept-3-en-4-amine (PubChem CID 176949757) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-3-methanimidoyl-2,2,6-trimethylhept-3-en-4-amine.

Molecular Properties

Compound Name(Z)-3-methanimidoyl-2,2,6-trimethylhept-3-en-4-amine
PubChem CID176949757
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(Z)-3-methanimidoyl-2,2,6-trimethylhept-3-en-4-amine
SMILES[H]/N=C/C(=C(\N)CC(C)C)C(C)(C)C
InChIInChI=1S/C11H22N2/c1-8(2)6-10(13)9(7-12)11(3,4)5/h7-8,12H,6,13H2,1-5H3/b10-9+,12-7+
InChIKeyFKWAKRGMQCKUIH-YQDZKPHZSA-N
XLogP2.94
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-amino-2,5-dimethylhex-2-enal
CID 143627282
3-methylbutanimidamide;hydrochloride
CID 18967932
4-amino-5-methanimidoyl-7-methyloct-4-ene-2,6-dione
CID 173498344
(6-imino-2,4-dimethyl-5-oxohexan-2-yl) carbamate
CID 174513579
3,3-dimethylbutan-2-one;4-methylpentan-2-one
CID 87718368
methyl (E)-3-amino-5,5,5-trifluoro-2-methanimidoylpent-2-enoate;molecular hydrogen
CID 169172822
(E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine
CID 166998459
(2Z,4E)-5-amino-6-imino-2-methyl-3-(trifluoromethyl)hexa-2,4-dienenitrile
CID 167107130
(E)-2-methanimidoyl-3-[methyl(2-methylpropyl)amino]prop-2-enamide
CID 170192753
3-amino-1-iminobutan-2-one
CID 174343794
(Z)-1-imino-4,4-dimethylpent-2-en-3-amine
CID 143208767
(2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine
CID 143255281

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methanimidoyl-2,2,6-trimethylhept-3-en-4-amine?
The IUPAC name of (Z)-3-methanimidoyl-2,2,6-trimethylhept-3-en-4-amine (CID 176949757) is (Z)-3-methanimidoyl-2,2,6-trimethylhept-3-en-4-amine.
What is the SMILES notation for (Z)-3-methanimidoyl-2,2,6-trimethylhept-3-en-4-amine?
The canonical SMILES for (Z)-3-methanimidoyl-2,2,6-trimethylhept-3-en-4-amine is [H]/N=C/C(=C(\N)CC(C)C)C(C)(C)C.
What is the InChIKey of (Z)-3-methanimidoyl-2,2,6-trimethylhept-3-en-4-amine?
The InChIKey is FKWAKRGMQCKUIH-YQDZKPHZSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)6-10(13)9(7-12)11(3,4)5/h7-8,12H,6,13H2,1-5H3/b10-9+,12-7+.
What are the key properties of (Z)-3-methanimidoyl-2,2,6-trimethylhept-3-en-4-amine?
(Z)-3-methanimidoyl-2,2,6-trimethylhept-3-en-4-amine has a molecular weight of 182.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methanimidoyl-2,2,6-trimethylhept-3-en-4-amine is sourced from PubChem (CID 176949757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).