N'-[1-(4-ethylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine

C17H30N2 — CID 43192150

IUPACN'-[1-(4-ethylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCCc1ccc(C(C)NCC(C)(C)CN(C)C)cc1
InChIInChI=1S/C17H30N2/c1-7-15-8-10-16(11-9-15)14(2)18-12-17(3,4)13-19(5)6/h8-11,14,18H,7,12-13H2,1-6H3
InChIKeyWIHLEMVFJQPNRW-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.49
Rot. Bonds7

About N'-[1-(4-ethylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine

N'-[1-(4-ethylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 43192150) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-[1-(4-ethylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(4-ethylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID43192150
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-[1-(4-ethylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCCc1ccc(C(C)NCC(C)(C)CN(C)C)cc1
InChIInChI=1S/C17H30N2/c1-7-15-8-10-16(11-9-15)14(2)18-12-17(3,4)13-19(5)6/h8-11,14,18H,7,12-13H2,1-6H3
InChIKeyWIHLEMVFJQPNRW-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,2,2-tetramethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 43093654
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43097278
N'-[1-(3-fluorophenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43192144
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43192108
3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol
CID 65108247
1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol
CID 103904363
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol
CID 103787561
3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115359024
1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-ethylphenyl)thiourea
CID 8615986
N-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 115523400

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-ethylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-[1-(4-ethylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine (CID 43192150) is N'-[1-(4-ethylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(4-ethylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(4-ethylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine is CCc1ccc(C(C)NCC(C)(C)CN(C)C)cc1.
What is the InChIKey of N'-[1-(4-ethylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is WIHLEMVFJQPNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-7-15-8-10-16(11-9-15)14(2)18-12-17(3,4)13-19(5)6/h8-11,14,18H,7,12-13H2,1-6H3.
What are the key properties of N'-[1-(4-ethylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-[1-(4-ethylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-ethylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 43192150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).