N-propan-2-yloxybut-3-en-1-imine

C7H13NO — CID 141149893

IUPACN-propan-2-yloxybut-3-en-1-imine
SMILESC=CCC=NOC(C)C
InChIInChI=1S/C7H13NO/c1-4-5-6-8-9-7(2)3/h4,6-7H,1,5H2,2-3H3
InChIKeyJNKCGRCNERZNKN-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.97
Rot. Bonds4

About N-propan-2-yloxybut-3-en-1-imine

N-propan-2-yloxybut-3-en-1-imine (PubChem CID 141149893) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-propan-2-yloxybut-3-en-1-imine.

Molecular Properties

Compound NameN-propan-2-yloxybut-3-en-1-imine
PubChem CID141149893
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-propan-2-yloxybut-3-en-1-imine
SMILESC=CCC=NOC(C)C
InChIInChI=1S/C7H13NO/c1-4-5-6-8-9-7(2)3/h4,6-7H,1,5H2,2-3H3
InChIKeyJNKCGRCNERZNKN-UHFFFAOYSA-N
XLogP1.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-propan-2-yloxyiminoethanamine
CID 58684286
(3E)-3-propan-2-yloxyiminopropan-1-amine
CID 58684159
(E)-N-pent-4-en-2-yloxypropan-1-imine
CID 173295530
N,N'-dimethoxypropane-1,3-diimine
CID 54222085
prop-2-enyl (2S)-3-methyl-2-nitrosobutanoate
CID 166857606
N-[4-(but-3-enylideneamino)-1,2,5-trimethylpyrrol-3-yl]-2-methylpropan-1-imine
CID 129298804
Diisopropyl(allyloxy) silane
CID 6329357
[2-[(2S)-pent-4-en-2-yl]oxyethylideneamino]methanol
CID 123528641
CID 12603478
CID 12603478
prop-2-enyl 2-aminopropanoate
CID 91515395
N-but-3-enylidene-N'-methylpropanimidamide
CID 143051286
N-prop-2-enylpropan-2-amine
CID 520711

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yloxybut-3-en-1-imine?
The IUPAC name of N-propan-2-yloxybut-3-en-1-imine (CID 141149893) is N-propan-2-yloxybut-3-en-1-imine.
What is the SMILES notation for N-propan-2-yloxybut-3-en-1-imine?
The canonical SMILES for N-propan-2-yloxybut-3-en-1-imine is C=CCC=NOC(C)C.
What is the InChIKey of N-propan-2-yloxybut-3-en-1-imine?
The InChIKey is JNKCGRCNERZNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-6-8-9-7(2)3/h4,6-7H,1,5H2,2-3H3.
What are the key properties of N-propan-2-yloxybut-3-en-1-imine?
N-propan-2-yloxybut-3-en-1-imine has a molecular weight of 127.19 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloxybut-3-en-1-imine is sourced from PubChem (CID 141149893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).