butan-1-ol;N-(2-butoxycyclohex-2-en-1-ylidene)hydroxylamine

C14H27NO3 — CID 163782132

IUPACbutan-1-ol;N-(2-butoxycyclohex-2-en-1-ylidene)hydroxylamine
SMILESCCCCO.CCCCOC1=CCCCC1=NO
InChIInChI=1S/C10H17NO2.C4H10O/c1-2-3-8-13-10-7-5-4-6-9(10)11-12;1-2-3-4-5/h7,12H,2-6,8H2,1H3;5H,2-4H2,1H3
InChIKeyMPLDTKJVOADRFL-UHFFFAOYSA-N
MW257.37 g/mol
LogP3.48
Rot. Bonds6

About butan-1-ol;N-(2-butoxycyclohex-2-en-1-ylidene)hydroxylamine

butan-1-ol;N-(2-butoxycyclohex-2-en-1-ylidene)hydroxylamine (PubChem CID 163782132) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is butan-1-ol;N-(2-butoxycyclohex-2-en-1-ylidene)hydroxylamine.

Molecular Properties

Compound Namebutan-1-ol;N-(2-butoxycyclohex-2-en-1-ylidene)hydroxylamine
PubChem CID163782132
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namebutan-1-ol;N-(2-butoxycyclohex-2-en-1-ylidene)hydroxylamine
SMILESCCCCO.CCCCOC1=CCCCC1=NO
InChIInChI=1S/C10H17NO2.C4H10O/c1-2-3-8-13-10-7-5-4-6-9(10)11-12;1-2-3-4-5/h7,12H,2-6,8H2,1H3;5H,2-4H2,1H3
InChIKeyMPLDTKJVOADRFL-UHFFFAOYSA-N
XLogP3.48
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(butan-1-ol);cyclobutane
CID 140562216
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CID 14296313
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CID 123157654
butan-1-ol;1-butoxybutane
CID 19700093
N-cyclohexylidenehydroxylamine;octan-1-ol
CID 174496993
butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
3-(cyclobuten-1-yloxy)propan-1-ol
CID 150941808
pentyl cyclopentene-1-carboxylate
CID 86197593
1-butylperoxycyclohexene
CID 150169078
butan-1-ol;plumbane
CID 173408910
butan-1-ol;nickel
CID 22477011

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;N-(2-butoxycyclohex-2-en-1-ylidene)hydroxylamine?
The IUPAC name of butan-1-ol;N-(2-butoxycyclohex-2-en-1-ylidene)hydroxylamine (CID 163782132) is butan-1-ol;N-(2-butoxycyclohex-2-en-1-ylidene)hydroxylamine.
What is the SMILES notation for butan-1-ol;N-(2-butoxycyclohex-2-en-1-ylidene)hydroxylamine?
The canonical SMILES for butan-1-ol;N-(2-butoxycyclohex-2-en-1-ylidene)hydroxylamine is CCCCO.CCCCOC1=CCCCC1=NO.
What is the InChIKey of butan-1-ol;N-(2-butoxycyclohex-2-en-1-ylidene)hydroxylamine?
The InChIKey is MPLDTKJVOADRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.C4H10O/c1-2-3-8-13-10-7-5-4-6-9(10)11-12;1-2-3-4-5/h7,12H,2-6,8H2,1H3;5H,2-4H2,1H3.
What are the key properties of butan-1-ol;N-(2-butoxycyclohex-2-en-1-ylidene)hydroxylamine?
butan-1-ol;N-(2-butoxycyclohex-2-en-1-ylidene)hydroxylamine has a molecular weight of 257.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;N-(2-butoxycyclohex-2-en-1-ylidene)hydroxylamine is sourced from PubChem (CID 163782132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).