1-(3,4-diethylphenyl)-N,3,4,4-tetramethylpentan-1-amine

C19H33N — CID 115482145

IUPAC1-(3,4-diethylphenyl)-N,3,4,4-tetramethylpentan-1-amine
SMILESCCc1ccc(C(CC(C)C(C)(C)C)NC)cc1CC
InChIInChI=1S/C19H33N/c1-8-15-10-11-17(13-16(15)9-2)18(20-7)12-14(3)19(4,5)6/h10-11,13-14,18,20H,8-9,12H2,1-7H3
InChIKeyYXRNHGMYXACRCS-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.14
Rot. Bonds6

About 1-(3,4-diethylphenyl)-N,3,4,4-tetramethylpentan-1-amine

1-(3,4-diethylphenyl)-N,3,4,4-tetramethylpentan-1-amine (PubChem CID 115482145) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-(3,4-diethylphenyl)-N,3,4,4-tetramethylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-diethylphenyl)-N,3,4,4-tetramethylpentan-1-amine
PubChem CID115482145
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-(3,4-diethylphenyl)-N,3,4,4-tetramethylpentan-1-amine
SMILESCCc1ccc(C(CC(C)C(C)(C)C)NC)cc1CC
InChIInChI=1S/C19H33N/c1-8-15-10-11-17(13-16(15)9-2)18(20-7)12-14(3)19(4,5)6/h10-11,13-14,18,20H,8-9,12H2,1-7H3
InChIKeyYXRNHGMYXACRCS-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 55261480
1-(3,4-diethylphenyl)-N-methylnonan-1-amine
CID 115482264
1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 83056700
1-(4-ethyl-3-methylphenyl)-N-methylpropan-1-amine
CID 145416557
N,3,4,4-tetramethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 105006583
1-(3,4-diethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115482251
1-(2,3-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 115850527
1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 115482274
3-(3,4-diethylphenyl)-N,3-dimethylbutan-1-amine
CID 113319299
6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one
CID 63832546
4-(3-tert-butyl-5,5-dimethylhexan-2-yl)-1,2-diethylbenzene;formic acid
CID 144690858
1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482156

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethylphenyl)-N,3,4,4-tetramethylpentan-1-amine?
The IUPAC name of 1-(3,4-diethylphenyl)-N,3,4,4-tetramethylpentan-1-amine (CID 115482145) is 1-(3,4-diethylphenyl)-N,3,4,4-tetramethylpentan-1-amine.
What is the SMILES notation for 1-(3,4-diethylphenyl)-N,3,4,4-tetramethylpentan-1-amine?
The canonical SMILES for 1-(3,4-diethylphenyl)-N,3,4,4-tetramethylpentan-1-amine is CCc1ccc(C(CC(C)C(C)(C)C)NC)cc1CC.
What is the InChIKey of 1-(3,4-diethylphenyl)-N,3,4,4-tetramethylpentan-1-amine?
The InChIKey is YXRNHGMYXACRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-8-15-10-11-17(13-16(15)9-2)18(20-7)12-14(3)19(4,5)6/h10-11,13-14,18,20H,8-9,12H2,1-7H3.
What are the key properties of 1-(3,4-diethylphenyl)-N,3,4,4-tetramethylpentan-1-amine?
1-(3,4-diethylphenyl)-N,3,4,4-tetramethylpentan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethylphenyl)-N,3,4,4-tetramethylpentan-1-amine is sourced from PubChem (CID 115482145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).