molecular hydrogen;N'-phenylethane-1,2-diamine;propane

C11H24N2 — CID 143734576

IUPACmolecular hydrogen;N'-phenylethane-1,2-diamine;propane
SMILESCCC.NCCNc1ccccc1.[H][H].[H][H]
InChIInChI=1S/C8H12N2.C3H8.2H2/c9-6-7-10-8-4-2-1-3-5-8;1-3-2;;/h1-5,10H,6-7,9H2;3H2,1-2H3;2*1H
InChIKeyQYGGVKQMZCAONH-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.97
Rot. Bonds3

About molecular hydrogen;N'-phenylethane-1,2-diamine;propane

molecular hydrogen;N'-phenylethane-1,2-diamine;propane (PubChem CID 143734576) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is molecular hydrogen;N'-phenylethane-1,2-diamine;propane.

Molecular Properties

Compound Namemolecular hydrogen;N'-phenylethane-1,2-diamine;propane
PubChem CID143734576
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Namemolecular hydrogen;N'-phenylethane-1,2-diamine;propane
SMILESCCC.NCCNc1ccccc1.[H][H].[H][H]
InChIInChI=1S/C8H12N2.C3H8.2H2/c9-6-7-10-8-4-2-1-3-5-8;1-3-2;;/h1-5,10H,6-7,9H2;3H2,1-2H3;2*1H
InChIKeyQYGGVKQMZCAONH-UHFFFAOYSA-N
XLogP2.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N'-phenylethane-1,2-diamine
CID 91048519
N'-(4-phenylphenyl)ethane-1,2-diamine
CID 15319687
N-propylaniline
CID 12153
2-phenylethanamine;N-propylaniline
CID 174836088
N'-phenylheptane-1,7-diamine
CID 61149618
isoquinoline;N'-phenylethane-1,2-diamine
CID 67835553
disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842
4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane
CID 145028947
N'-[3-[(E)-2-phenylethenyl]phenyl]ethane-1,2-diamine
CID 89340469
N-nonadecylaniline
CID 54509054
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
4-(2-aminoethylamino)phenol
CID 15538569

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N'-phenylethane-1,2-diamine;propane?
The IUPAC name of molecular hydrogen;N'-phenylethane-1,2-diamine;propane (CID 143734576) is molecular hydrogen;N'-phenylethane-1,2-diamine;propane.
What is the SMILES notation for molecular hydrogen;N'-phenylethane-1,2-diamine;propane?
The canonical SMILES for molecular hydrogen;N'-phenylethane-1,2-diamine;propane is CCC.NCCNc1ccccc1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;N'-phenylethane-1,2-diamine;propane?
The InChIKey is QYGGVKQMZCAONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C3H8.2H2/c9-6-7-10-8-4-2-1-3-5-8;1-3-2;;/h1-5,10H,6-7,9H2;3H2,1-2H3;2*1H.
What are the key properties of molecular hydrogen;N'-phenylethane-1,2-diamine;propane?
molecular hydrogen;N'-phenylethane-1,2-diamine;propane has a molecular weight of 184.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N'-phenylethane-1,2-diamine;propane is sourced from PubChem (CID 143734576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).