(NE)-N-(5-pentyl-2,3-dihydroinden-1-ylidene)hydroxylamine

C14H19NO — CID 87785621

IUPAC(NE)-N-(5-pentyl-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESCCCCCc1ccc2c(c1)CC/C2=N\O
InChIInChI=1S/C14H19NO/c1-2-3-4-5-11-6-8-13-12(10-11)7-9-14(13)15-16/h6,8,10,16H,2-5,7,9H2,1H3/b15-14+
InChIKeyKIENNIHXALWQLC-CCEZHUSRSA-N
MW217.31 g/mol
LogP3.54
Rot. Bonds4

About (NE)-N-(5-pentyl-2,3-dihydroinden-1-ylidene)hydroxylamine

(NE)-N-(5-pentyl-2,3-dihydroinden-1-ylidene)hydroxylamine (PubChem CID 87785621) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (NE)-N-(5-pentyl-2,3-dihydroinden-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(5-pentyl-2,3-dihydroinden-1-ylidene)hydroxylamine
PubChem CID87785621
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(NE)-N-(5-pentyl-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESCCCCCc1ccc2c(c1)CC/C2=N\O
InChIInChI=1S/C14H19NO/c1-2-3-4-5-11-6-8-13-12(10-11)7-9-14(13)15-16/h6,8,10,16H,2-5,7,9H2,1H3/b15-14+
InChIKeyKIENNIHXALWQLC-CCEZHUSRSA-N
XLogP3.54
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.54
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

5-octyl-2,3-dihydroinden-1-one
CID 67248522
(E)-N-[(E)-1-(7-octyl-9,10-dihydrophenanthren-2-yl)ethylideneamino]propan-2-imine
CID 172934411
N-[6-(2-phenylethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 85168122
2,7-dipropyl-9,10-dihydrophenanthrene
CID 159085021
3,8-di(nonyl)-6,11-dihydro-5H-benzo[b][1]benzazepine
CID 170778877
(NE)-N-(6-ethyl-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 82074881
2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377916
(NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 58826807
2-hexyl-9H-fluorene
CID 2801684
2-decyl-9H-fluorene
CID 21095311
2-hexyl-7-[2-(3,4,5-trifluorophenyl)ethynyl]-9,10-dihydrophenanthrene
CID 139883306
1-fluoro-7-hexyl-2-(3,4,5-trifluorophenyl)-9,10-dihydrophenanthrene
CID 139883671

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(5-pentyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(5-pentyl-2,3-dihydroinden-1-ylidene)hydroxylamine (CID 87785621) is (NE)-N-(5-pentyl-2,3-dihydroinden-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(5-pentyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(5-pentyl-2,3-dihydroinden-1-ylidene)hydroxylamine is CCCCCc1ccc2c(c1)CC/C2=N\O.
What is the InChIKey of (NE)-N-(5-pentyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The InChIKey is KIENNIHXALWQLC-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-3-4-5-11-6-8-13-12(10-11)7-9-14(13)15-16/h6,8,10,16H,2-5,7,9H2,1H3/b15-14+.
What are the key properties of (NE)-N-(5-pentyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
(NE)-N-(5-pentyl-2,3-dihydroinden-1-ylidene)hydroxylamine has a molecular weight of 217.31 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(5-pentyl-2,3-dihydroinden-1-ylidene)hydroxylamine is sourced from PubChem (CID 87785621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).