N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine

C16H27N — CID 43484923

IUPACN,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine
SMILESCCCc1ccc(C(CC(C)(C)C)NC)cc1
InChIInChI=1S/C16H27N/c1-6-7-13-8-10-14(11-9-13)15(17-5)12-16(2,3)4/h8-11,15,17H,6-7,12H2,1-5H3
InChIKeyYZDRHWKBLNMAFA-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.34
Rot. Bonds5

About N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine

N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine (PubChem CID 43484923) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine
PubChem CID43484923
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine
SMILESCCCc1ccc(C(CC(C)(C)C)NC)cc1
InChIInChI=1S/C16H27N/c1-6-7-13-8-10-14(11-9-13)15(17-5)12-16(2,3)4/h8-11,15,17H,6-7,12H2,1-5H3
InChIKeyYZDRHWKBLNMAFA-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine
CID 116950082
2-(methylamino)-2-(4-propylphenyl)ethanethiol
CID 116830608
1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 63508379
1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43481297
N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine
CID 116950451
N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 63469443
1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one
CID 62880658
1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79053289
1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43496585
2-cyclopentyl-N-methyl-1-(4-propylphenyl)ethanamine
CID 60771358
N-methyl-3-(4-propylphenyl)butan-2-amine
CID 66438296
N-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64650012

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine?
The IUPAC name of N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine (CID 43484923) is N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine.
What is the SMILES notation for N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine?
The canonical SMILES for N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine is CCCc1ccc(C(CC(C)(C)C)NC)cc1.
What is the InChIKey of N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine?
The InChIKey is YZDRHWKBLNMAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-7-13-8-10-14(11-9-13)15(17-5)12-16(2,3)4/h8-11,15,17H,6-7,12H2,1-5H3.
What are the key properties of N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine?
N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine is sourced from PubChem (CID 43484923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).