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

C17H27N — CID 115418329

IUPAC4-methyl-N-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)CCCNC1CCC(C)c2ccccc21
InChIInChI=1S/C17H27N/c1-13(2)7-6-12-18-17-11-10-14(3)15-8-4-5-9-16(15)17/h4-5,8-9,13-14,17-18H,6-7,10-12H2,1-3H3
InChIKeyUKLWAKQRZPRHKB-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.65
Rot. Bonds5

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

4-methyl-N-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115418329) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-methyl-N-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-methyl-N-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115418329
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4-methyl-N-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)CCCNC1CCC(C)c2ccccc21
InChIInChI=1S/C17H27N/c1-13(2)7-6-12-18-17-11-10-14(3)15-8-4-5-9-16(15)17/h4-5,8-9,13-14,17-18H,6-7,10-12H2,1-3H3
InChIKeyUKLWAKQRZPRHKB-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 115418093
N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301213
2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine
CID 81344254
N'-cyclopropyl-N'-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 115418399
4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301517
2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-propan-2-ylacetamide
CID 81302197
4-methyl-N-(2-prop-2-ynylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113348664
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
N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 54914303
4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115725315
4-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81297954

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-methyl-N-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115418329) is 4-methyl-N-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-methyl-N-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-methyl-N-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CC(C)CCCNC1CCC(C)c2ccccc21.
What is the InChIKey of 4-methyl-N-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UKLWAKQRZPRHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)7-6-12-18-17-11-10-14(3)15-8-4-5-9-16(15)17/h4-5,8-9,13-14,17-18H,6-7,10-12H2,1-3H3.
What are the key properties of 4-methyl-N-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
4-methyl-N-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115418329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).