N,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine

C18H29N — CID 115812436

IUPACN,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine
SMILESCCC(C)(C)C(CC1CCCc2ccccc21)NC
InChIInChI=1S/C18H29N/c1-5-18(2,3)17(19-4)13-15-11-8-10-14-9-6-7-12-16(14)15/h6-7,9,12,15,17,19H,5,8,10-11,13H2,1-4H3
InChIKeyMVEBMLWBKNXUBC-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.52
Rot. Bonds5

About N,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine

N,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine (PubChem CID 115812436) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine
PubChem CID115812436
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine
SMILESCCC(C)(C)C(CC1CCCc2ccccc21)NC
InChIInChI=1S/C18H29N/c1-5-18(2,3)17(19-4)13-15-11-8-10-14-9-6-7-12-16(14)15/h6-7,9,12,15,17,19H,5,8,10-11,13H2,1-4H3
InChIKeyMVEBMLWBKNXUBC-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
[3-methoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-yl]hydrazine
CID 105245335
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 115812317
N-methyl-1-(oxolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65328404
3-N,3-N-diethyl-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-2,3-diamine
CID 79046794
3-ethoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 116713603
1-(3-ethylcyclopentyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65411989
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
CID 55241508
1-cyclopropyl-1-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 116722314
2,3-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 63770918
N-methyl-1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 79963939

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine?
The IUPAC name of N,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine (CID 115812436) is N,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine?
The canonical SMILES for N,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine is CCC(C)(C)C(CC1CCCc2ccccc21)NC.
What is the InChIKey of N,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine?
The InChIKey is MVEBMLWBKNXUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-18(2,3)17(19-4)13-15-11-8-10-14-9-6-7-12-16(14)15/h6-7,9,12,15,17,19H,5,8,10-11,13H2,1-4H3.
What are the key properties of N,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine?
N,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine has a molecular weight of 259.44 g/mol, XLogP of 4.52, 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-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine is sourced from PubChem (CID 115812436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).