N-(3-ethyl-2-methylcyclopentyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C19H29N — CID 115418444

IUPACN-(3-ethyl-2-methylcyclopentyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC1CCC(NC2CCC(C)c3ccccc32)C1C
InChIInChI=1S/C19H29N/c1-4-15-10-12-18(14(15)3)20-19-11-9-13(2)16-7-5-6-8-17(16)19/h5-8,13-15,18-20H,4,9-12H2,1-3H3
InChIKeyRFQHYYDAQJPGAO-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.04
Rot. Bonds3

About N-(3-ethyl-2-methylcyclopentyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

N-(3-ethyl-2-methylcyclopentyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115418444) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115418444
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC1CCC(NC2CCC(C)c3ccccc32)C1C
InChIInChI=1S/C19H29N/c1-4-15-10-12-18(14(15)3)20-19-11-9-13(2)16-7-5-6-8-17(16)19/h5-8,13-15,18-20H,4,9-12H2,1-3H3
InChIKeyRFQHYYDAQJPGAO-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-ethylcyclopropyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114107749
N-(3-ethyl-2-methylcyclopentyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 64921552
1-[(3-ethyl-2-methylcyclopentyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 64923510
4-methyl-N-(2-methylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418459
N-benzyl-3-ethyl-2-methylcyclopentan-1-amine
CID 64920559
3-[(3-ethyl-2-methylcyclopentyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 64922351
N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine
CID 115418421
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
6,8-dichloro-N-(3-ethyl-2-methylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine
CID 64921533
2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine
CID 81344254
3-ethyl-2-methyl-N-(4-phenylbutyl)cyclopentan-1-amine
CID 114333391

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115418444) is N-(3-ethyl-2-methylcyclopentyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCC1CCC(NC2CCC(C)c3ccccc32)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is RFQHYYDAQJPGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-4-15-10-12-18(14(15)3)20-19-11-9-13(2)16-7-5-6-8-17(16)19/h5-8,13-15,18-20H,4,9-12H2,1-3H3.
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(3-ethyl-2-methylcyclopentyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 271.45 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115418444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).