N-benzyl-N-(4-methylhex-1-en-3-yl)hydroxylamine

C14H21NO — CID 10059288

IUPACN-benzyl-N-(4-methylhex-1-en-3-yl)hydroxylamine
SMILESC=CC(C(C)CC)N(O)Cc1ccccc1
InChIInChI=1S/C14H21NO/c1-4-12(3)14(5-2)15(16)11-13-9-7-6-8-10-13/h5-10,12,14,16H,2,4,11H2,1,3H3
InChIKeyMYAHVEOJIXEJIA-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.48
Rot. Bonds6

About N-benzyl-N-(4-methylhex-1-en-3-yl)hydroxylamine

N-benzyl-N-(4-methylhex-1-en-3-yl)hydroxylamine (PubChem CID 10059288) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-benzyl-N-(4-methylhex-1-en-3-yl)hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-(4-methylhex-1-en-3-yl)hydroxylamine
PubChem CID10059288
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-benzyl-N-(4-methylhex-1-en-3-yl)hydroxylamine
SMILESC=CC(C(C)CC)N(O)Cc1ccccc1
InChIInChI=1S/C14H21NO/c1-4-12(3)14(5-2)15(16)11-13-9-7-6-8-10-13/h5-10,12,14,16H,2,4,11H2,1,3H3
InChIKeyMYAHVEOJIXEJIA-UHFFFAOYSA-N
XLogP3.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 11288047
N-benzyl-N-[(1R)-1-phenylethyl]hydroxylamine
CID 15778138
N-benzyl-N-ethenylpropan-2-amine
CID 67948019
N-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine
CID 175479837
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
N-benzyl-N-ethenylpropanamide
CID 11469541
N-benzyl-N-methylbutan-2-amine
CID 15496809
1-N,1-N,1-N',1-N'-tetrabenzylprop-2-ene-1,1-diamine
CID 11144541
benzyl(ethenyl)carbamic acid
CID 22377754
tert-butyl N-[(2R,3S)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 10698118
benzyl(butan-2-yl)carbamic acid
CID 18954164
N-benzyl-2,2,2-trichloro-N-[(3S,4S)-4-(phenylmethoxymethyl)hex-1-en-3-yl]acetamide
CID 53376415

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methylhex-1-en-3-yl)hydroxylamine?
The IUPAC name of N-benzyl-N-(4-methylhex-1-en-3-yl)hydroxylamine (CID 10059288) is N-benzyl-N-(4-methylhex-1-en-3-yl)hydroxylamine.
What is the SMILES notation for N-benzyl-N-(4-methylhex-1-en-3-yl)hydroxylamine?
The canonical SMILES for N-benzyl-N-(4-methylhex-1-en-3-yl)hydroxylamine is C=CC(C(C)CC)N(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(4-methylhex-1-en-3-yl)hydroxylamine?
The InChIKey is MYAHVEOJIXEJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-12(3)14(5-2)15(16)11-13-9-7-6-8-10-13/h5-10,12,14,16H,2,4,11H2,1,3H3.
What are the key properties of N-benzyl-N-(4-methylhex-1-en-3-yl)hydroxylamine?
N-benzyl-N-(4-methylhex-1-en-3-yl)hydroxylamine has a molecular weight of 219.33 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methylhex-1-en-3-yl)hydroxylamine is sourced from PubChem (CID 10059288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).