ethene;N'-methyl-N'-phenylpropane-1,3-diamine

C12H20N2 — CID 143617453

IUPACethene;N'-methyl-N'-phenylpropane-1,3-diamine
SMILESC=C.CN(CCCN)c1ccccc1
InChIInChI=1S/C10H16N2.C2H4/c1-12(9-5-8-11)10-6-3-2-4-7-10;1-2/h2-4,6-7H,5,8-9,11H2,1H3;1-2H2
InChIKeyKXQQDDIPDCVCJA-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.27
Rot. Bonds4

About ethene;N'-methyl-N'-phenylpropane-1,3-diamine

ethene;N'-methyl-N'-phenylpropane-1,3-diamine (PubChem CID 143617453) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is ethene;N'-methyl-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound Nameethene;N'-methyl-N'-phenylpropane-1,3-diamine
PubChem CID143617453
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Nameethene;N'-methyl-N'-phenylpropane-1,3-diamine
SMILESC=C.CN(CCCN)c1ccccc1
InChIInChI=1S/C10H16N2.C2H4/c1-12(9-5-8-11)10-6-3-2-4-7-10;1-2/h2-4,6-7H,5,8-9,11H2,1H3;1-2H2
InChIKeyKXQQDDIPDCVCJA-UHFFFAOYSA-N
XLogP2.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-benzylpiperazin-1-yl)propan-1-amine;ethane;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143648202
N-heptyl-N-methylaniline
CID 54015540
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
N-dodecyl-N-methylaniline;hydrochloride
CID 23333551
2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine
CID 103387090
N-methyl-N-(3-pyrrol-1-ylpropyl)aniline
CID 43510642
ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
CID 177320801
1-[N-(3-aminopropyl)anilino]propan-2-ol
CID 65277240
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
6-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 61260836
N'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine
CID 28772810
N'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine
CID 62002474

Frequently Asked Questions

What is the IUPAC name of ethene;N'-methyl-N'-phenylpropane-1,3-diamine?
The IUPAC name of ethene;N'-methyl-N'-phenylpropane-1,3-diamine (CID 143617453) is ethene;N'-methyl-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for ethene;N'-methyl-N'-phenylpropane-1,3-diamine?
The canonical SMILES for ethene;N'-methyl-N'-phenylpropane-1,3-diamine is C=C.CN(CCCN)c1ccccc1.
What is the InChIKey of ethene;N'-methyl-N'-phenylpropane-1,3-diamine?
The InChIKey is KXQQDDIPDCVCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C2H4/c1-12(9-5-8-11)10-6-3-2-4-7-10;1-2/h2-4,6-7H,5,8-9,11H2,1H3;1-2H2.
What are the key properties of ethene;N'-methyl-N'-phenylpropane-1,3-diamine?
ethene;N'-methyl-N'-phenylpropane-1,3-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N'-methyl-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 143617453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).