methane;(NE)-N-(3-octylundecan-2-ylidene)hydroxylamine

C23H55NO — CID 172958785

IUPACmethane;(NE)-N-(3-octylundecan-2-ylidene)hydroxylamine
SMILESC.C.C.C.CCCCCCCCC(CCCCCCCC)/C(C)=N/O
InChIInChI=1S/C19H39NO.4CH4/c1-4-6-8-10-12-14-16-19(18(3)20-21)17-15-13-11-9-7-5-2;;;;/h19,21H,4-17H2,1-3H3;4*1H4/b20-18+;;;;
InChIKeyNQQAKTRADXFJFK-LCELROQFSA-N
MW361.70 g/mol
LogP9.50
Rot. Bonds15

About methane;(NE)-N-(3-octylundecan-2-ylidene)hydroxylamine

methane;(NE)-N-(3-octylundecan-2-ylidene)hydroxylamine (PubChem CID 172958785) has the molecular formula C23H55NO and a molecular weight of 361.70 g/mol. Its IUPAC name is methane;(NE)-N-(3-octylundecan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Namemethane;(NE)-N-(3-octylundecan-2-ylidene)hydroxylamine
PubChem CID172958785
Molecular FormulaC23H55NO
Molecular Weight361.70 g/mol
Exact Mass361.43
IUPAC Namemethane;(NE)-N-(3-octylundecan-2-ylidene)hydroxylamine
SMILESC.C.C.C.CCCCCCCCC(CCCCCCCC)/C(C)=N/O
InChIInChI=1S/C19H39NO.4CH4/c1-4-6-8-10-12-14-16-19(18(3)20-21)17-15-13-11-9-7-5-2;;;;/h19,21H,4-17H2,1-3H3;4*1H4/b20-18+;;;;
InChIKeyNQQAKTRADXFJFK-LCELROQFSA-N
XLogP9.50
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.70
LogP ≤ 59.50
H-Bond Donors ≤ 51
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-octyl-N-(propan-2-ylideneamino)undecan-2-imine
CID 118634138
N-[(E)-3-heptyldecan-2-ylideneamino]-N-methylmethanamine
CID 130417058
3-pentylnonan-2-one
CID 21290467
3-butylundecan-2-one
CID 10922232
8-but-2-en-2-ylpentadecane
CID 174945434
2-octyldecanedithioic acid
CID 175890881
9,11-dipentylnonadecan-10-one
CID 174915946
22,24-di(henicosyl)pentatetracontan-23-one
CID 174350862
11,13-diheptyltricosan-12-one
CID 175328104
3-ethyl-2-methyldodec-1-ene
CID 174845873
[(Z)-3-octylundecan-2-ylideneamino] N-methylcarbamate
CID 129223532
2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
CID 173164625

Frequently Asked Questions

What is the IUPAC name of methane;(NE)-N-(3-octylundecan-2-ylidene)hydroxylamine?
The IUPAC name of methane;(NE)-N-(3-octylundecan-2-ylidene)hydroxylamine (CID 172958785) is methane;(NE)-N-(3-octylundecan-2-ylidene)hydroxylamine.
What is the SMILES notation for methane;(NE)-N-(3-octylundecan-2-ylidene)hydroxylamine?
The canonical SMILES for methane;(NE)-N-(3-octylundecan-2-ylidene)hydroxylamine is C.C.C.C.CCCCCCCCC(CCCCCCCC)/C(C)=N/O.
What is the InChIKey of methane;(NE)-N-(3-octylundecan-2-ylidene)hydroxylamine?
The InChIKey is NQQAKTRADXFJFK-LCELROQFSA-N. The full InChI is InChI=1S/C19H39NO.4CH4/c1-4-6-8-10-12-14-16-19(18(3)20-21)17-15-13-11-9-7-5-2;;;;/h19,21H,4-17H2,1-3H3;4*1H4/b20-18+;;;;.
What are the key properties of methane;(NE)-N-(3-octylundecan-2-ylidene)hydroxylamine?
methane;(NE)-N-(3-octylundecan-2-ylidene)hydroxylamine has a molecular weight of 361.70 g/mol, XLogP of 9.50, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(NE)-N-(3-octylundecan-2-ylidene)hydroxylamine is sourced from PubChem (CID 172958785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).