benzene;methanamine;propane

C35H58N2 — CID 90812848

IUPACbenzene;methanamine;propane
SMILESCCC.CCC.CCC.CN.CN.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/4C6H6.3C3H8.2CH5N/c4*1-2-4-6-5-3-1;3*1-3-2;2*1-2/h4*1-6H;3*3H2,1-2H3;2*2H2,1H3
InChIKeyLFOFRTKJQDOUCC-UHFFFAOYSA-N
MW506.86 g/mol
LogP10.15
Rot. Bonds

About benzene;methanamine;propane

benzene;methanamine;propane (PubChem CID 90812848) has the molecular formula C35H58N2 and a molecular weight of 506.86 g/mol. Its IUPAC name is benzene;methanamine;propane.

Molecular Properties

Compound Namebenzene;methanamine;propane
PubChem CID90812848
Molecular FormulaC35H58N2
Molecular Weight506.86 g/mol
Exact Mass506.46
IUPAC Namebenzene;methanamine;propane
SMILESCCC.CCC.CCC.CN.CN.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/4C6H6.3C3H8.2CH5N/c4*1-2-4-6-5-3-1;3*1-3-2;2*1-2/h4*1-6H;3*3H2,1-2H3;2*2H2,1H3
InChIKeyLFOFRTKJQDOUCC-UHFFFAOYSA-N
XLogP10.15
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.86
LogP ≤ 510.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Ammonium tetraphenylborate
CID 14496924
Trimethylammonium tetraphenylborate
CID 15241873
Tetramethylammonium tetraphenylborate
CID 11079735
(Azaethylidene)triphenylphosphine
CID 4431888
Butylammonium tetraphenylborate
CID 18401350
Tetradecylammonium tetraphenylborate
CID 88469015
1,1,2-Tris(diphenylphosphanyl)-2-methylhydrazine
CID 419692
Butyl-[butyl(diphenyl)stannyl]sulfanyl-diphenylstannane
CID 16683397
CID 12702745
CID 12702745
Tris(diethylazanide);tetraphenylboranuide;uranium(4+)
CID 51003859
Methyl(tetraphenyl)-lambda~5~-stibane
CID 71359876
CID 102102281
CID 102102281

Frequently Asked Questions

What is the IUPAC name of benzene;methanamine;propane?
The IUPAC name of benzene;methanamine;propane (CID 90812848) is benzene;methanamine;propane.
What is the SMILES notation for benzene;methanamine;propane?
The canonical SMILES for benzene;methanamine;propane is CCC.CCC.CCC.CN.CN.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;methanamine;propane?
The InChIKey is LFOFRTKJQDOUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H6.3C3H8.2CH5N/c4*1-2-4-6-5-3-1;3*1-3-2;2*1-2/h4*1-6H;3*3H2,1-2H3;2*2H2,1H3.
What are the key properties of benzene;methanamine;propane?
benzene;methanamine;propane has a molecular weight of 506.86 g/mol, XLogP of 10.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methanamine;propane is sourced from PubChem (CID 90812848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).