(NZ)-N-[2-[2-[[(3Z)-3-hydroxyiminopentan-2-yl]amino]ethylamino]pentan-3-ylidene]hydroxylamine

C12H26N4O2 — CID 101001650

IUPAC(NZ)-N-[2-[2-[[(3Z)-3-hydroxyiminopentan-2-yl]amino]ethylamino]pentan-3-ylidene]hydroxylamine
SMILESCC/C(=N/O)C(C)NCCNC(C)/C(CC)=N\O
InChIInChI=1S/C12H26N4O2/c1-5-11(15-17)9(3)13-7-8-14-10(4)12(6-2)16-18/h9-10,13-14,17-18H,5-8H2,1-4H3/b15-11-,16-12-
InChIKeyDLLHJZANOWOLJS-NFLUSIDLSA-N
MW258.37 g/mol
LogP1.42
Rot. Bonds9

About (NZ)-N-[2-[2-[[(3Z)-3-hydroxyiminopentan-2-yl]amino]ethylamino]pentan-3-ylidene]hydroxylamine

(NZ)-N-[2-[2-[[(3Z)-3-hydroxyiminopentan-2-yl]amino]ethylamino]pentan-3-ylidene]hydroxylamine (PubChem CID 101001650) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is (NZ)-N-[2-[2-[[(3Z)-3-hydroxyiminopentan-2-yl]amino]ethylamino]pentan-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2-[2-[[(3Z)-3-hydroxyiminopentan-2-yl]amino]ethylamino]pentan-3-ylidene]hydroxylamine
PubChem CID101001650
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name(NZ)-N-[2-[2-[[(3Z)-3-hydroxyiminopentan-2-yl]amino]ethylamino]pentan-3-ylidene]hydroxylamine
SMILESCC/C(=N/O)C(C)NCCNC(C)/C(CC)=N\O
InChIInChI=1S/C12H26N4O2/c1-5-11(15-17)9(3)13-7-8-14-10(4)12(6-2)16-18/h9-10,13-14,17-18H,5-8H2,1-4H3/b15-11-,16-12-
InChIKeyDLLHJZANOWOLJS-NFLUSIDLSA-N
XLogP1.42
TPSA89.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

N-[2-[3-(3-hydroxyiminopentan-2-ylamino)propylamino]pentan-3-ylidene]hydroxylamine
CID 165355226
(NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine
CID 15447622
(4E)-4-hydroxyiminohexan-3-ol
CID 22415949
(NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine
CID 21313717
(NE)-N-[1-(4-aminobutylamino)-2-methylpentan-3-ylidene]hydroxylamine
CID 139833638
N'-hydroxy-2-(octylamino)propanimidamide
CID 115568476
bis(N-[3-(2-aminoethylamino)butan-2-ylidene]hydroxylamine);cobalt(3+)
CID 6850067
2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide
CID 77026359
N'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide
CID 77029418
2-methyl-N-(2-methylpentan-3-ylideneamino)pentan-3-imine
CID 131880639
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
CID 77029016
N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide
CID 77028476

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2-[2-[[(3Z)-3-hydroxyiminopentan-2-yl]amino]ethylamino]pentan-3-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2-[2-[[(3Z)-3-hydroxyiminopentan-2-yl]amino]ethylamino]pentan-3-ylidene]hydroxylamine (CID 101001650) is (NZ)-N-[2-[2-[[(3Z)-3-hydroxyiminopentan-2-yl]amino]ethylamino]pentan-3-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2-[2-[[(3Z)-3-hydroxyiminopentan-2-yl]amino]ethylamino]pentan-3-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2-[2-[[(3Z)-3-hydroxyiminopentan-2-yl]amino]ethylamino]pentan-3-ylidene]hydroxylamine is CC/C(=N/O)C(C)NCCNC(C)/C(CC)=N\O.
What is the InChIKey of (NZ)-N-[2-[2-[[(3Z)-3-hydroxyiminopentan-2-yl]amino]ethylamino]pentan-3-ylidene]hydroxylamine?
The InChIKey is DLLHJZANOWOLJS-NFLUSIDLSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-5-11(15-17)9(3)13-7-8-14-10(4)12(6-2)16-18/h9-10,13-14,17-18H,5-8H2,1-4H3/b15-11-,16-12-.
What are the key properties of (NZ)-N-[2-[2-[[(3Z)-3-hydroxyiminopentan-2-yl]amino]ethylamino]pentan-3-ylidene]hydroxylamine?
(NZ)-N-[2-[2-[[(3Z)-3-hydroxyiminopentan-2-yl]amino]ethylamino]pentan-3-ylidene]hydroxylamine has a molecular weight of 258.37 g/mol, XLogP of 1.42, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2-[2-[[(3Z)-3-hydroxyiminopentan-2-yl]amino]ethylamino]pentan-3-ylidene]hydroxylamine is sourced from PubChem (CID 101001650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).