4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

C16H25N — CID 113305898

IUPAC4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(NC(C)C(C)C)c2ccccc21
InChIInChI=1S/C16H25N/c1-11(2)13(4)17-16-10-9-12(3)14-7-5-6-8-15(14)16/h5-8,11-13,16-17H,9-10H2,1-4H3
InChIKeyUKGVZNNNIYNRNX-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.26
Rot. Bonds3

About 4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 113305898) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID113305898
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(NC(C)C(C)C)c2ccccc21
InChIInChI=1S/C16H25N/c1-11(2)13(4)17-16-10-9-12(3)14-7-5-6-8-15(14)16/h5-8,11-13,16-17H,9-10H2,1-4H3
InChIKeyUKGVZNNNIYNRNX-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301517
N-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418412
(2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 103789078
N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418510
N-[1-(furan-2-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81302193
4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115725315
4-methyl-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301993
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418524
methyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 115418277
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418288
4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418345
4-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81296486

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 113305898) is 4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is CC1CCC(NC(C)C(C)C)c2ccccc21.
What is the InChIKey of 4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UKGVZNNNIYNRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11(2)13(4)17-16-10-9-12(3)14-7-5-6-8-15(14)16/h5-8,11-13,16-17H,9-10H2,1-4H3.
What are the key properties of 4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 113305898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).