N-[2-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]phenyl]hydroxylamine

C16H29N3O — CID 90685954

IUPACN-[2-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]phenyl]hydroxylamine
SMILESCCCCN(C)CCN(C)CCc1ccccc1NO
InChIInChI=1S/C16H29N3O/c1-4-5-11-18(2)13-14-19(3)12-10-15-8-6-7-9-16(15)17-20/h6-9,17,20H,4-5,10-14H2,1-3H3
InChIKeyVKGGHXVLHNDIDO-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.69
Rot. Bonds10

About N-[2-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]phenyl]hydroxylamine

N-[2-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]phenyl]hydroxylamine (PubChem CID 90685954) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[2-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]phenyl]hydroxylamine
PubChem CID90685954
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[2-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]phenyl]hydroxylamine
SMILESCCCCN(C)CCN(C)CCc1ccccc1NO
InChIInChI=1S/C16H29N3O/c1-4-5-11-18(2)13-14-19(3)12-10-15-8-6-7-9-16(15)17-20/h6-9,17,20H,4-5,10-14H2,1-3H3
InChIKeyVKGGHXVLHNDIDO-UHFFFAOYSA-N
XLogP2.69
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]phenyl]hydroxylamine?
The IUPAC name of N-[2-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]phenyl]hydroxylamine (CID 90685954) is N-[2-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]phenyl]hydroxylamine.
What is the SMILES notation for N-[2-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]phenyl]hydroxylamine?
The canonical SMILES for N-[2-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]phenyl]hydroxylamine is CCCCN(C)CCN(C)CCc1ccccc1NO.
What is the InChIKey of N-[2-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]phenyl]hydroxylamine?
The InChIKey is VKGGHXVLHNDIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-5-11-18(2)13-14-19(3)12-10-15-8-6-7-9-16(15)17-20/h6-9,17,20H,4-5,10-14H2,1-3H3.
What are the key properties of N-[2-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]phenyl]hydroxylamine?
N-[2-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]phenyl]hydroxylamine has a molecular weight of 279.43 g/mol, XLogP of 2.69, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]phenyl]hydroxylamine is sourced from PubChem (CID 90685954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).