4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine

C19H31N — CID 106023724

IUPAC4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCC(CCC)NC1CCC(C)c2ccccc21
InChIInChI=1S/C19H31N/c1-4-6-10-16(9-5-2)20-19-14-13-15(3)17-11-7-8-12-18(17)19/h7-8,11-12,15-16,19-20H,4-6,9-10,13-14H2,1-3H3
InChIKeyGVCPJDSPIKKWMA-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.57
Rot. Bonds7

About 4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine

4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 106023724) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID106023724
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCC(CCC)NC1CCC(C)c2ccccc21
InChIInChI=1S/C19H31N/c1-4-6-10-16(9-5-2)20-19-14-13-15(3)17-11-7-8-12-18(17)19/h7-8,11-12,15-16,19-20H,4-6,9-10,13-14H2,1-3H3
InChIKeyGVCPJDSPIKKWMA-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.57
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
4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113305898
(2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 103789078
4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115725315
N-[(2-cyclopropylphenyl)methyl]octan-4-amine
CID 106023493
4-methyl-N-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418329
1-(octan-4-ylamino)-2,3-dihydro-1H-inden-5-ol
CID 106023518
4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418345
2-bromo-N-octan-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 106023399
(2R)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-phenylethanol
CID 103788778
2-ethyl-2-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]butan-1-ol
CID 106252229

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 106023724) is 4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCCC(CCC)NC1CCC(C)c2ccccc21.
What is the InChIKey of 4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is GVCPJDSPIKKWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-6-10-16(9-5-2)20-19-14-13-15(3)17-11-7-8-12-18(17)19/h7-8,11-12,15-16,19-20H,4-6,9-10,13-14H2,1-3H3.
What are the key properties of 4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 106023724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).