N,N,2,2-tetramethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine

C18H32N2 — CID 43093654

IUPACN,N,2,2-tetramethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
SMILESCCCc1ccc(C(C)NCC(C)(C)CN(C)C)cc1
InChIInChI=1S/C18H32N2/c1-7-8-16-9-11-17(12-10-16)15(2)19-13-18(3,4)14-20(5)6/h9-12,15,19H,7-8,13-14H2,1-6H3
InChIKeyFARHIBWMDWSYIR-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.88
Rot. Bonds8

About N,N,2,2-tetramethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine

N,N,2,2-tetramethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine (PubChem CID 43093654) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
PubChem CID43093654
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN,N,2,2-tetramethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
SMILESCCCc1ccc(C(C)NCC(C)(C)CN(C)C)cc1
InChIInChI=1S/C18H32N2/c1-7-8-16-9-11-17(12-10-16)15(2)19-13-18(3,4)14-20(5)6/h9-12,15,19H,7-8,13-14H2,1-6H3
InChIKeyFARHIBWMDWSYIR-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[1-(4-ethylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43192150
3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol
CID 103787561
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43097278
3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115359024
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
(2R)-1-[1-(4-propylphenyl)ethylamino]propan-2-ol
CID 103906705
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43192108
N'-[1-(3-fluorophenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43192144
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 106899436
1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol
CID 103904363
N-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide
CID 81298338
N,N-dimethyl-1-[[1-(4-propylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 83108390

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine (CID 43093654) is N,N,2,2-tetramethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine is CCCc1ccc(C(C)NCC(C)(C)CN(C)C)cc1.
What is the InChIKey of N,N,2,2-tetramethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine?
The InChIKey is FARHIBWMDWSYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-7-8-16-9-11-17(12-10-16)15(2)19-13-18(3,4)14-20(5)6/h9-12,15,19H,7-8,13-14H2,1-6H3.
What are the key properties of N,N,2,2-tetramethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 43093654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).