(E,4R)-3-methanimidoyl-4-methylhex-2-en-2-amine

C8H16N2 — CID 142055326

IUPAC(E,4R)-3-methanimidoyl-4-methylhex-2-en-2-amine
SMILES[H]/N=C/C(=C(\C)N)[C@H](C)CC
InChIInChI=1S/C8H16N2/c1-4-6(2)8(5-9)7(3)10/h5-6,9H,4,10H2,1-3H3/b8-7-,9-5+/t6-/m1/s1
InChIKeyOJFDJUGVTAWPMT-FYDTULHXSA-N
MW140.23 g/mol
LogP1.91
Rot. Bonds3

About (E,4R)-3-methanimidoyl-4-methylhex-2-en-2-amine

(E,4R)-3-methanimidoyl-4-methylhex-2-en-2-amine (PubChem CID 142055326) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (E,4R)-3-methanimidoyl-4-methylhex-2-en-2-amine.

Molecular Properties

Compound Name(E,4R)-3-methanimidoyl-4-methylhex-2-en-2-amine
PubChem CID142055326
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(E,4R)-3-methanimidoyl-4-methylhex-2-en-2-amine
SMILES[H]/N=C/C(=C(\C)N)[C@H](C)CC
InChIInChI=1S/C8H16N2/c1-4-6(2)8(5-9)7(3)10/h5-6,9H,4,10H2,1-3H3/b8-7-,9-5+/t6-/m1/s1
InChIKeyOJFDJUGVTAWPMT-FYDTULHXSA-N
XLogP1.91
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,4R)-3-methanimidoyl-4-methylhex-2-en-2-amine?
The IUPAC name of (E,4R)-3-methanimidoyl-4-methylhex-2-en-2-amine (CID 142055326) is (E,4R)-3-methanimidoyl-4-methylhex-2-en-2-amine.
What is the SMILES notation for (E,4R)-3-methanimidoyl-4-methylhex-2-en-2-amine?
The canonical SMILES for (E,4R)-3-methanimidoyl-4-methylhex-2-en-2-amine is [H]/N=C/C(=C(\C)N)[C@H](C)CC.
What is the InChIKey of (E,4R)-3-methanimidoyl-4-methylhex-2-en-2-amine?
The InChIKey is OJFDJUGVTAWPMT-FYDTULHXSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-6(2)8(5-9)7(3)10/h5-6,9H,4,10H2,1-3H3/b8-7-,9-5+/t6-/m1/s1.
What are the key properties of (E,4R)-3-methanimidoyl-4-methylhex-2-en-2-amine?
(E,4R)-3-methanimidoyl-4-methylhex-2-en-2-amine has a molecular weight of 140.23 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-3-methanimidoyl-4-methylhex-2-en-2-amine is sourced from PubChem (CID 142055326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).