(E)-3,3-dimethyl-N-propoxybutan-2-imine

C9H19NO — CID 88538853

IUPAC(E)-3,3-dimethyl-N-propoxybutan-2-imine
SMILESCCCO/N=C(\C)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-6-7-11-10-8(2)9(3,4)5/h6-7H2,1-5H3/b10-8+
InChIKeyDMJBHHZFESFZFY-CSKARUKUSA-N
MW157.26 g/mol
LogP2.84
Rot. Bonds3

About (E)-3,3-dimethyl-N-propoxybutan-2-imine

(E)-3,3-dimethyl-N-propoxybutan-2-imine (PubChem CID 88538853) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (E)-3,3-dimethyl-N-propoxybutan-2-imine.

Molecular Properties

Compound Name(E)-3,3-dimethyl-N-propoxybutan-2-imine
PubChem CID88538853
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(E)-3,3-dimethyl-N-propoxybutan-2-imine
SMILESCCCO/N=C(\C)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-6-7-11-10-8(2)9(3,4)5/h6-7H2,1-5H3/b10-8+
InChIKeyDMJBHHZFESFZFY-CSKARUKUSA-N
XLogP2.84
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[4-(4-fluorophenyl)butoxy]-3,3-dimethylbutan-2-imine
CID 59409528
N-(N'-propoxycarbamimidoyl)acetamide
CID 154044965
1-cyclohexyl-N-propoxyethanimine
CID 173219025
4-(N-ethoxy-C-methylcarbonimidoyl)heptan-4-ol
CID 3074066
4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]heptan-4-ol
CID 6510140
cobalt;2-N,3-N-dibutoxybutane-2,3-diimine
CID 174757879
(Z)-N-butoxypropan-2-imine;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium
CID 172919709
N-hexoxypropan-2-imine;N-pentoxypropan-2-imine
CID 91028134
N-ethyl-3-methyl-3-propoxypentan-2-imine
CID 153491896
(4Z)-4-propoxyiminopentanehydrazide
CID 142466122
tert-butyl(dipropoxy)silane
CID 123871390
(E)-N-[4-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]butoxy]-3,3-dimethylbutan-2-imine
CID 18429411

Frequently Asked Questions

What is the IUPAC name of (E)-3,3-dimethyl-N-propoxybutan-2-imine?
The IUPAC name of (E)-3,3-dimethyl-N-propoxybutan-2-imine (CID 88538853) is (E)-3,3-dimethyl-N-propoxybutan-2-imine.
What is the SMILES notation for (E)-3,3-dimethyl-N-propoxybutan-2-imine?
The canonical SMILES for (E)-3,3-dimethyl-N-propoxybutan-2-imine is CCCO/N=C(\C)C(C)(C)C.
What is the InChIKey of (E)-3,3-dimethyl-N-propoxybutan-2-imine?
The InChIKey is DMJBHHZFESFZFY-CSKARUKUSA-N. The full InChI is InChI=1S/C9H19NO/c1-6-7-11-10-8(2)9(3,4)5/h6-7H2,1-5H3/b10-8+.
What are the key properties of (E)-3,3-dimethyl-N-propoxybutan-2-imine?
(E)-3,3-dimethyl-N-propoxybutan-2-imine has a molecular weight of 157.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3-dimethyl-N-propoxybutan-2-imine is sourced from PubChem (CID 88538853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).