(3S)-3-amino-3,7-dimethyloct-6-enal

C10H19NO — CID 147415648

IUPAC(3S)-3-amino-3,7-dimethyloct-6-enal
SMILESCC(C)=CCC[C@](C)(N)CC=O
InChIInChI=1S/C10H19NO/c1-9(2)5-4-6-10(3,11)7-8-12/h5,8H,4,6-7,11H2,1-3H3/t10-/m0/s1
InChIKeyDRMFDKMHLMEQQP-JTQLQIEISA-N
MW169.27 g/mol
LogP2.04
Rot. Bonds5

About (3S)-3-amino-3,7-dimethyloct-6-enal

(3S)-3-amino-3,7-dimethyloct-6-enal (PubChem CID 147415648) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3S)-3-amino-3,7-dimethyloct-6-enal.

Molecular Properties

Compound Name(3S)-3-amino-3,7-dimethyloct-6-enal
PubChem CID147415648
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3S)-3-amino-3,7-dimethyloct-6-enal
SMILESCC(C)=CCC[C@](C)(N)CC=O
InChIInChI=1S/C10H19NO/c1-9(2)5-4-6-10(3,11)7-8-12/h5,8H,4,6-7,11H2,1-3H3/t10-/m0/s1
InChIKeyDRMFDKMHLMEQQP-JTQLQIEISA-N
XLogP2.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,8-trimethylnon-7-enal
CID 121006941
(3R)-3,7-dimethyl-3-(2-methylpropyl)oct-6-enal
CID 153352209
(3R)-3-butyl-3,7-dimethyloct-6-enal
CID 132528865
2-(3,7-dimethyl-1-oxooct-6-en-3-yl)sulfanylacetic acid
CID 118437193
5,9-dimethyldeca-2,8-dien-5-ol
CID 141182025
(4R)-4,8-dimethylnon-7-en-4-ol
CID 90181485
(6E)-2,6,10,10-tetramethylundeca-2,6-diene
CID 59164889
4,4-diamino-7,11,15-trimethylhexadeca-6,10,14-trienamide
CID 91500196
(4Z)-2,5,9-trimethyldeca-4,8-dien-2-ol
CID 24976055
2,6,10-trimethyldodeca-2,10-dien-6-ol
CID 174144692
(1E)-2,6-dimethylhepta-1,5-dien-1-ol
CID 12944525
(6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene
CID 163844448

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3,7-dimethyloct-6-enal?
The IUPAC name of (3S)-3-amino-3,7-dimethyloct-6-enal (CID 147415648) is (3S)-3-amino-3,7-dimethyloct-6-enal.
What is the SMILES notation for (3S)-3-amino-3,7-dimethyloct-6-enal?
The canonical SMILES for (3S)-3-amino-3,7-dimethyloct-6-enal is CC(C)=CCC[C@](C)(N)CC=O.
What is the InChIKey of (3S)-3-amino-3,7-dimethyloct-6-enal?
The InChIKey is DRMFDKMHLMEQQP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)5-4-6-10(3,11)7-8-12/h5,8H,4,6-7,11H2,1-3H3/t10-/m0/s1.
What are the key properties of (3S)-3-amino-3,7-dimethyloct-6-enal?
(3S)-3-amino-3,7-dimethyloct-6-enal has a molecular weight of 169.27 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3,7-dimethyloct-6-enal is sourced from PubChem (CID 147415648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).