(Z)-3-amino-2,5-dimethylhex-2-enal

C8H15NO — CID 143627282

IUPAC(Z)-3-amino-2,5-dimethylhex-2-enal
SMILESC/C(C=O)=C(/N)CC(C)C
InChIInChI=1S/C8H15NO/c1-6(2)4-8(9)7(3)5-10/h5-6H,4,9H2,1-3H3/b8-7-
InChIKeyCDYKBUYWBFGAPI-FPLPWBNLSA-N
MW141.21 g/mol
LogP1.46
Rot. Bonds3

About (Z)-3-amino-2,5-dimethylhex-2-enal

(Z)-3-amino-2,5-dimethylhex-2-enal (PubChem CID 143627282) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (Z)-3-amino-2,5-dimethylhex-2-enal.

Molecular Properties

Compound Name(Z)-3-amino-2,5-dimethylhex-2-enal
PubChem CID143627282
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(Z)-3-amino-2,5-dimethylhex-2-enal
SMILESC/C(C=O)=C(/N)CC(C)C
InChIInChI=1S/C8H15NO/c1-6(2)4-8(9)7(3)5-10/h5-6H,4,9H2,1-3H3/b8-7-
InChIKeyCDYKBUYWBFGAPI-FPLPWBNLSA-N
XLogP1.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2,5-dimethylhex-2-enal?
The IUPAC name of (Z)-3-amino-2,5-dimethylhex-2-enal (CID 143627282) is (Z)-3-amino-2,5-dimethylhex-2-enal.
What is the SMILES notation for (Z)-3-amino-2,5-dimethylhex-2-enal?
The canonical SMILES for (Z)-3-amino-2,5-dimethylhex-2-enal is C/C(C=O)=C(/N)CC(C)C.
What is the InChIKey of (Z)-3-amino-2,5-dimethylhex-2-enal?
The InChIKey is CDYKBUYWBFGAPI-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)4-8(9)7(3)5-10/h5-6H,4,9H2,1-3H3/b8-7-.
What are the key properties of (Z)-3-amino-2,5-dimethylhex-2-enal?
(Z)-3-amino-2,5-dimethylhex-2-enal has a molecular weight of 141.21 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2,5-dimethylhex-2-enal is sourced from PubChem (CID 143627282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).