(NE)-N-[1-[(1S,2S)-2-methyl-2,3-di(propan-2-yl)cyclopentyl]ethylidene]hydroxylamine

C14H27NO — CID 90180883

IUPAC(NE)-N-[1-[(1S,2S)-2-methyl-2,3-di(propan-2-yl)cyclopentyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)[C@H]1CCC(C(C)C)[C@]1(C)C(C)C
InChIInChI=1S/C14H27NO/c1-9(2)12-7-8-13(11(5)15-16)14(12,6)10(3)4/h9-10,12-13,16H,7-8H2,1-6H3/b15-11+/t12?,13-,14+/m1/s1
InChIKeyJOXBPHLSCMYRAL-YRRHHTGXSA-N
MW225.38 g/mol
LogP4.18
Rot. Bonds3

About (NE)-N-[1-[(1S,2S)-2-methyl-2,3-di(propan-2-yl)cyclopentyl]ethylidene]hydroxylamine

(NE)-N-[1-[(1S,2S)-2-methyl-2,3-di(propan-2-yl)cyclopentyl]ethylidene]hydroxylamine (PubChem CID 90180883) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (NE)-N-[1-[(1S,2S)-2-methyl-2,3-di(propan-2-yl)cyclopentyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[(1S,2S)-2-methyl-2,3-di(propan-2-yl)cyclopentyl]ethylidene]hydroxylamine
PubChem CID90180883
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(NE)-N-[1-[(1S,2S)-2-methyl-2,3-di(propan-2-yl)cyclopentyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)[C@H]1CCC(C(C)C)[C@]1(C)C(C)C
InChIInChI=1S/C14H27NO/c1-9(2)12-7-8-13(11(5)15-16)14(12,6)10(3)4/h9-10,12-13,16H,7-8H2,1-6H3/b15-11+/t12?,13-,14+/m1/s1
InChIKeyJOXBPHLSCMYRAL-YRRHHTGXSA-N
XLogP4.18
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[(1S,2S)-2-methyl-2,3-di(propan-2-yl)cyclopentyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[(1S,2S)-2-methyl-2,3-di(propan-2-yl)cyclopentyl]ethylidene]hydroxylamine (CID 90180883) is (NE)-N-[1-[(1S,2S)-2-methyl-2,3-di(propan-2-yl)cyclopentyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[(1S,2S)-2-methyl-2,3-di(propan-2-yl)cyclopentyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[(1S,2S)-2-methyl-2,3-di(propan-2-yl)cyclopentyl]ethylidene]hydroxylamine is C/C(=N\O)[C@H]1CCC(C(C)C)[C@]1(C)C(C)C.
What is the InChIKey of (NE)-N-[1-[(1S,2S)-2-methyl-2,3-di(propan-2-yl)cyclopentyl]ethylidene]hydroxylamine?
The InChIKey is JOXBPHLSCMYRAL-YRRHHTGXSA-N. The full InChI is InChI=1S/C14H27NO/c1-9(2)12-7-8-13(11(5)15-16)14(12,6)10(3)4/h9-10,12-13,16H,7-8H2,1-6H3/b15-11+/t12?,13-,14+/m1/s1.
What are the key properties of (NE)-N-[1-[(1S,2S)-2-methyl-2,3-di(propan-2-yl)cyclopentyl]ethylidene]hydroxylamine?
(NE)-N-[1-[(1S,2S)-2-methyl-2,3-di(propan-2-yl)cyclopentyl]ethylidene]hydroxylamine has a molecular weight of 225.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[(1S,2S)-2-methyl-2,3-di(propan-2-yl)cyclopentyl]ethylidene]hydroxylamine is sourced from PubChem (CID 90180883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).