N,N,N'-trimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

C14H24N2 — CID 22692516

IUPACN,N,N'-trimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCNCC(c1ccc(C(C)C)cc1)N(C)C
InChIInChI=1S/C14H24N2/c1-11(2)12-6-8-13(9-7-12)14(10-15-3)16(4)5/h6-9,11,14-15H,10H2,1-5H3
InChIKeyDJVVPSLCSZWGRL-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.63
Rot. Bonds5

About N,N,N'-trimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

N,N,N'-trimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (PubChem CID 22692516) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N,N,N'-trimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
PubChem CID22692516
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN,N,N'-trimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCNCC(c1ccc(C(C)C)cc1)N(C)C
InChIInChI=1S/C14H24N2/c1-11(2)12-6-8-13(9-7-12)14(10-15-3)16(4)5/h6-9,11,14-15H,10H2,1-5H3
InChIKeyDJVVPSLCSZWGRL-UHFFFAOYSA-N
XLogP2.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(dimethylamino)-2-(methylamino)ethyl]phenol
CID 105448262
propan-2-yl 4-[1-(dimethylamino)-2-(methylamino)ethyl]benzoate
CID 145029330
1-[4-(benzenesulfonyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 145029124
N,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine
CID 112501179
methyl 3-(dimethylamino)-3-(4-propan-2-ylphenyl)propanoate
CID 116910166
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 45003216
N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 62462209
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide
CID 40860865
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide
CID 16932771
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8681969
(Z)-but-2-ene;4-[1-(dimethylamino)-2-(methylamino)ethyl]benzaldehyde;1-methylpyrrolidine
CID 145029221

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (CID 22692516) is N,N,N'-trimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is CNCC(c1ccc(C(C)C)cc1)N(C)C.
What is the InChIKey of N,N,N'-trimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The InChIKey is DJVVPSLCSZWGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(2)12-6-8-13(9-7-12)14(10-15-3)16(4)5/h6-9,11,14-15H,10H2,1-5H3.
What are the key properties of N,N,N'-trimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
N,N,N'-trimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 22692516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).