N,N-dibenzyl-1-(3,3-dimethyloxiran-2-yl)methanamine

C19H23NO — CID 53342822

IUPACN,N-dibenzyl-1-(3,3-dimethyloxiran-2-yl)methanamine
SMILESCC1(C)OC1CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-19(2)18(21-19)15-20(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3
InChIKeyHDFURAVXBPQNSO-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.87
Rot. Bonds6

About N,N-dibenzyl-1-(3,3-dimethyloxiran-2-yl)methanamine

N,N-dibenzyl-1-(3,3-dimethyloxiran-2-yl)methanamine (PubChem CID 53342822) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N,N-dibenzyl-1-(3,3-dimethyloxiran-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dibenzyl-1-(3,3-dimethyloxiran-2-yl)methanamine
PubChem CID53342822
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN,N-dibenzyl-1-(3,3-dimethyloxiran-2-yl)methanamine
SMILESCC1(C)OC1CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-19(2)18(21-19)15-20(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3
InChIKeyHDFURAVXBPQNSO-UHFFFAOYSA-N
XLogP3.87
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-[(4S,5S)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine
CID 129433805
N-benzyl-2-chloro-N-[[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]methyl]ethanamine
CID 89385547
N,N-dibenzyl-1-[(1R)-2,2-dibromocyclopropyl]methanamine
CID 10938445
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
N,N-dibenzylpropan-1-amine
CID 10840212
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
3-benzyl-3-methyloxiran-2-amine
CID 130712281
(2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine
CID 155444946
6-[[benzyl(cyclobutylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 56819791
1-phenyl-N,N-bis(trimethylsilyl)methanamine
CID 616728

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-(3,3-dimethyloxiran-2-yl)methanamine?
The IUPAC name of N,N-dibenzyl-1-(3,3-dimethyloxiran-2-yl)methanamine (CID 53342822) is N,N-dibenzyl-1-(3,3-dimethyloxiran-2-yl)methanamine.
What is the SMILES notation for N,N-dibenzyl-1-(3,3-dimethyloxiran-2-yl)methanamine?
The canonical SMILES for N,N-dibenzyl-1-(3,3-dimethyloxiran-2-yl)methanamine is CC1(C)OC1CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-1-(3,3-dimethyloxiran-2-yl)methanamine?
The InChIKey is HDFURAVXBPQNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-19(2)18(21-19)15-20(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3.
What are the key properties of N,N-dibenzyl-1-(3,3-dimethyloxiran-2-yl)methanamine?
N,N-dibenzyl-1-(3,3-dimethyloxiran-2-yl)methanamine has a molecular weight of 281.40 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-(3,3-dimethyloxiran-2-yl)methanamine is sourced from PubChem (CID 53342822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).