(Z)-4-amino-4-methylundec-2-enal

C12H23NO — CID 167028790

IUPAC(Z)-4-amino-4-methylundec-2-enal
SMILESCCCCCCCC(C)(N)/C=C\C=O
InChIInChI=1S/C12H23NO/c1-3-4-5-6-7-9-12(2,13)10-8-11-14/h8,10-11H,3-7,9,13H2,1-2H3/b10-8-
InChIKeyVSBBLHDLVIZGOR-NTMALXAHSA-N
MW197.32 g/mol
LogP2.82
Rot. Bonds8

About (Z)-4-amino-4-methylundec-2-enal

(Z)-4-amino-4-methylundec-2-enal (PubChem CID 167028790) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (Z)-4-amino-4-methylundec-2-enal.

Molecular Properties

Compound Name(Z)-4-amino-4-methylundec-2-enal
PubChem CID167028790
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(Z)-4-amino-4-methylundec-2-enal
SMILESCCCCCCCC(C)(N)/C=C\C=O
InChIInChI=1S/C12H23NO/c1-3-4-5-6-7-9-12(2,13)10-8-11-14/h8,10-11H,3-7,9,13H2,1-2H3/b10-8-
InChIKeyVSBBLHDLVIZGOR-NTMALXAHSA-N
XLogP2.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-2-methylnonanal
CID 145052924
2-amino-2-methylundecanal
CID 175716419
formic acid;9-octylheptadecan-9-amine
CID 173166613
(2R)-2-amino-2-methylhexanal
CID 144823365
11-decylhenicosan-11-amine
CID 19847882
2,2-diaminononadecanal
CID 174639671
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
5-butylhexadecan-5-amine
CID 22244897
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
12-undecyltetracosan-12-amine;hydrochloride
CID 173403860

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-4-methylundec-2-enal?
The IUPAC name of (Z)-4-amino-4-methylundec-2-enal (CID 167028790) is (Z)-4-amino-4-methylundec-2-enal.
What is the SMILES notation for (Z)-4-amino-4-methylundec-2-enal?
The canonical SMILES for (Z)-4-amino-4-methylundec-2-enal is CCCCCCCC(C)(N)/C=C\C=O.
What is the InChIKey of (Z)-4-amino-4-methylundec-2-enal?
The InChIKey is VSBBLHDLVIZGOR-NTMALXAHSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-4-5-6-7-9-12(2,13)10-8-11-14/h8,10-11H,3-7,9,13H2,1-2H3/b10-8-.
What are the key properties of (Z)-4-amino-4-methylundec-2-enal?
(Z)-4-amino-4-methylundec-2-enal has a molecular weight of 197.32 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-4-methylundec-2-enal is sourced from PubChem (CID 167028790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).