N-benzyl-3-ethenoxypropan-1-amine

C12H17NO — CID 43183138

IUPACN-benzyl-3-ethenoxypropan-1-amine
SMILESC=COCCCNCc1ccccc1
InChIInChI=1S/C12H17NO/c1-2-14-10-6-9-13-11-12-7-4-3-5-8-12/h2-5,7-8,13H,1,6,9-11H2
InChIKeyQADMUUGHIMSOEW-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.33
Rot. Bonds7

About N-benzyl-3-ethenoxypropan-1-amine

N-benzyl-3-ethenoxypropan-1-amine (PubChem CID 43183138) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-benzyl-3-ethenoxypropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-ethenoxypropan-1-amine
PubChem CID43183138
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-benzyl-3-ethenoxypropan-1-amine
SMILESC=COCCCNCc1ccccc1
InChIInChI=1S/C12H17NO/c1-2-14-10-6-9-13-11-12-7-4-3-5-8-12/h2-5,7-8,13H,1,6,9-11H2
InChIKeyQADMUUGHIMSOEW-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 4789471
2-[(3-ethenoxypropylamino)methyl]phenol
CID 28725894
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N'-benzyl-N-(3-methoxypropyl)ethane-1,2-diamine;carbanide;methoxymethane;uranium(2+)
CID 169243785
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
3-ethenoxy-N-(1H-indol-6-ylmethyl)propan-1-amine
CID 102909372
N-benzyl-2-pent-4-enoxyethanamine
CID 79114606
N-(1,2-diphenylethyl)-3-ethenoxypropan-1-amine
CID 43100461
N-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide
CID 66385443
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
N-benzyl-3-(5-bromopyrimidin-4-yl)oxypropan-1-amine
CID 114783141
N-benzyl-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine
CID 75529792

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-ethenoxypropan-1-amine?
The IUPAC name of N-benzyl-3-ethenoxypropan-1-amine (CID 43183138) is N-benzyl-3-ethenoxypropan-1-amine.
What is the SMILES notation for N-benzyl-3-ethenoxypropan-1-amine?
The canonical SMILES for N-benzyl-3-ethenoxypropan-1-amine is C=COCCCNCc1ccccc1.
What is the InChIKey of N-benzyl-3-ethenoxypropan-1-amine?
The InChIKey is QADMUUGHIMSOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-14-10-6-9-13-11-12-7-4-3-5-8-12/h2-5,7-8,13H,1,6,9-11H2.
What are the key properties of N-benzyl-3-ethenoxypropan-1-amine?
N-benzyl-3-ethenoxypropan-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-ethenoxypropan-1-amine is sourced from PubChem (CID 43183138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).