(NE)-N-[2-[(E)-prop-1-enyl]iminohexan-3-ylidene]hydroxylamine

C9H16N2O — CID 137284475

IUPAC(NE)-N-[2-[(E)-prop-1-enyl]iminohexan-3-ylidene]hydroxylamine
SMILESC/C=C/N=C(C)/C(CCC)=N/O
InChIInChI=1S/C9H16N2O/c1-4-6-9(11-12)8(3)10-7-5-2/h5,7,12H,4,6H2,1-3H3/b7-5+,10-8+,11-9+
InChIKeyIISQAPIBJYFSEW-HJHGIKLDSA-N
MW168.24 g/mol
LogP2.61
Rot. Bonds4

About (NE)-N-[2-[(E)-prop-1-enyl]iminohexan-3-ylidene]hydroxylamine

(NE)-N-[2-[(E)-prop-1-enyl]iminohexan-3-ylidene]hydroxylamine (PubChem CID 137284475) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (NE)-N-[2-[(E)-prop-1-enyl]iminohexan-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-[(E)-prop-1-enyl]iminohexan-3-ylidene]hydroxylamine
PubChem CID137284475
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(NE)-N-[2-[(E)-prop-1-enyl]iminohexan-3-ylidene]hydroxylamine
SMILESC/C=C/N=C(C)/C(CCC)=N/O
InChIInChI=1S/C9H16N2O/c1-4-6-9(11-12)8(3)10-7-5-2/h5,7,12H,4,6H2,1-3H3/b7-5+,10-8+,11-9+
InChIKeyIISQAPIBJYFSEW-HJHGIKLDSA-N
XLogP2.61
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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

(NE)-N-[4-[(E)-prop-1-enyl]iminohexan-3-ylidene]hydroxylamine
CID 137284471
(NE)-N-(4-prop-2-enyliminohexan-3-ylidene)hydroxylamine
CID 137284480
(NE)-N-(2-prop-2-enyliminohexan-3-ylidene)hydroxylamine
CID 137297930
(NE)-N-[3-[(E)-prop-1-enyl]iminobutan-2-ylidene]hydroxylamine
CID 137297934
(NE)-N-(3-prop-2-enyliminopentan-2-ylidene)hydroxylamine
CID 137315976
(NE)-N-(3-prop-2-enyliminoheptan-4-ylidene)hydroxylamine
CID 137315977
(NE)-N-[2-[(E)-prop-1-enyl]iminopentan-3-ylidene]hydroxylamine
CID 137315978
(NE)-N-[3-[(E)-prop-1-enyl]iminopentan-2-ylidene]hydroxylamine
CID 137315980
(NE)-N-(2-prop-2-enyliminopentan-3-ylidene)hydroxylamine
CID 137315983
(NE)-N-[3-[(E)-prop-1-enyl]iminoheptan-4-ylidene]hydroxylamine
CID 137315984
ethane;N-[(Z)-prop-1-enyl]pentan-2-imine
CID 142100044
ethane;N-[(Z)-prop-1-enyl]hexan-3-imine
CID 142112329

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-[(E)-prop-1-enyl]iminohexan-3-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-[(E)-prop-1-enyl]iminohexan-3-ylidene]hydroxylamine (CID 137284475) is (NE)-N-[2-[(E)-prop-1-enyl]iminohexan-3-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-[(E)-prop-1-enyl]iminohexan-3-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-[(E)-prop-1-enyl]iminohexan-3-ylidene]hydroxylamine is C/C=C/N=C(C)/C(CCC)=N/O.
What is the InChIKey of (NE)-N-[2-[(E)-prop-1-enyl]iminohexan-3-ylidene]hydroxylamine?
The InChIKey is IISQAPIBJYFSEW-HJHGIKLDSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-6-9(11-12)8(3)10-7-5-2/h5,7,12H,4,6H2,1-3H3/b7-5+,10-8+,11-9+.
What are the key properties of (NE)-N-[2-[(E)-prop-1-enyl]iminohexan-3-ylidene]hydroxylamine?
(NE)-N-[2-[(E)-prop-1-enyl]iminohexan-3-ylidene]hydroxylamine has a molecular weight of 168.24 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-[(E)-prop-1-enyl]iminohexan-3-ylidene]hydroxylamine is sourced from PubChem (CID 137284475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).