(NE)-N-[1-(4-aminobutylamino)-2-methylpentan-3-ylidene]hydroxylamine

C10H23N3O — CID 139833638

IUPAC(NE)-N-[1-(4-aminobutylamino)-2-methylpentan-3-ylidene]hydroxylamine
SMILESCC/C(=N\O)C(C)CNCCCCN
InChIInChI=1S/C10H23N3O/c1-3-10(13-14)9(2)8-12-7-5-4-6-11/h9,12,14H,3-8,11H2,1-2H3/b13-10+
InChIKeyXQEJEWVVBSOPAM-JLHYYAGUSA-N
MW201.31 g/mol
LogP1.19
Rot. Bonds8

About (NE)-N-[1-(4-aminobutylamino)-2-methylpentan-3-ylidene]hydroxylamine

(NE)-N-[1-(4-aminobutylamino)-2-methylpentan-3-ylidene]hydroxylamine (PubChem CID 139833638) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is (NE)-N-[1-(4-aminobutylamino)-2-methylpentan-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(4-aminobutylamino)-2-methylpentan-3-ylidene]hydroxylamine
PubChem CID139833638
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name(NE)-N-[1-(4-aminobutylamino)-2-methylpentan-3-ylidene]hydroxylamine
SMILESCC/C(=N\O)C(C)CNCCCCN
InChIInChI=1S/C10H23N3O/c1-3-10(13-14)9(2)8-12-7-5-4-6-11/h9,12,14H,3-8,11H2,1-2H3/b13-10+
InChIKeyXQEJEWVVBSOPAM-JLHYYAGUSA-N
XLogP1.19
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'-hydroxy-2-methyl-3-(pentylamino)propanimidamide
CID 77026293
ethyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551192
1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol
CID 155255098
N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
CID 22075501
1-(6-aminohexylamino)heptadecan-2-ol
CID 71383255
N-[2-[3-(3-hydroxyiminopentan-2-ylamino)propylamino]pentan-3-ylidene]hydroxylamine
CID 165355226
2-methyl-3-(pentylamino)propanamide
CID 43312009
N'-hydroxy-5-(2-methylbutylamino)pentanimidamide
CID 77027184
(2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol
CID 58592003
N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)octane-1,8-diamine;butane-1,4-diamine;ethanamine;ethane-1,2-diamine;hexane-1,6-diamine;octane-1,8-diamine;bis(pentane-1,5-diamine);propane-1,3-diamine
CID 165066014
2-[(7-aminoheptylamino)methyl]propane-1,3-diamine
CID 159145188
N'-(2-aminoethyl)-N-[5-(propan-2-ylamino)pentyl]pentane-1,5-diamine;N'-[5-[5-(propan-2-ylamino)pentylamino]pentyl]pentane-1,5-diamine;N'-[5-(propan-2-ylamino)pentyl]pentane-1,5-diamine;N'-[3-(propan-2-ylamino)propyl]butane-1,4-diamine;N'-[3-(propan-2-ylamino)propyl]octane-1,8-diamine
CID 158904101

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(4-aminobutylamino)-2-methylpentan-3-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(4-aminobutylamino)-2-methylpentan-3-ylidene]hydroxylamine (CID 139833638) is (NE)-N-[1-(4-aminobutylamino)-2-methylpentan-3-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(4-aminobutylamino)-2-methylpentan-3-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(4-aminobutylamino)-2-methylpentan-3-ylidene]hydroxylamine is CC/C(=N\O)C(C)CNCCCCN.
What is the InChIKey of (NE)-N-[1-(4-aminobutylamino)-2-methylpentan-3-ylidene]hydroxylamine?
The InChIKey is XQEJEWVVBSOPAM-JLHYYAGUSA-N. The full InChI is InChI=1S/C10H23N3O/c1-3-10(13-14)9(2)8-12-7-5-4-6-11/h9,12,14H,3-8,11H2,1-2H3/b13-10+.
What are the key properties of (NE)-N-[1-(4-aminobutylamino)-2-methylpentan-3-ylidene]hydroxylamine?
(NE)-N-[1-(4-aminobutylamino)-2-methylpentan-3-ylidene]hydroxylamine has a molecular weight of 201.31 g/mol, XLogP of 1.19, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(4-aminobutylamino)-2-methylpentan-3-ylidene]hydroxylamine is sourced from PubChem (CID 139833638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).