2-N-methyl-2-N-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine

C16H26N2 — CID 43295683

IUPAC2-N-methyl-2-N-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCCC(C)CN(C)C1CCc2ccccc2C1N
InChIInChI=1S/C16H26N2/c1-4-12(2)11-18(3)15-10-9-13-7-5-6-8-14(13)16(15)17/h5-8,12,15-16H,4,9-11,17H2,1-3H3
InChIKeyKKRDCGSHIOUUDD-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.98
Rot. Bonds4

About 2-N-methyl-2-N-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine

2-N-methyl-2-N-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine (PubChem CID 43295683) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
PubChem CID43295683
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-N-methyl-2-N-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCCC(C)CN(C)C1CCc2ccccc2C1N
InChIInChI=1S/C16H26N2/c1-4-12(2)11-18(3)15-10-9-13-7-5-6-8-14(13)16(15)17/h5-8,12,15-16H,4,9-11,17H2,1-3H3
InChIKeyKKRDCGSHIOUUDD-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 103188495
2-N-methyl-2-N-(2-methylbutyl)-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 63467737
2-N-methyl-2-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 63980779
2-N-(2-methylpropyl)-2-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 54999713
6-N-butan-2-yl-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 43272852
2-N-cyclopropyl-2-N-ethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 43264128
6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 81058338
2-N-ethyl-2-N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 61447898
6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63727365
6-N-ethyl-6-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 43268680
2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine
CID 43295671
2-N-methyl-2-N-(3-methylbutan-2-yl)-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 63469194

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine (CID 43295683) is 2-N-methyl-2-N-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine is CCC(C)CN(C)C1CCc2ccccc2C1N.
What is the InChIKey of 2-N-methyl-2-N-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The InChIKey is KKRDCGSHIOUUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-12(2)11-18(3)15-10-9-13-7-5-6-8-14(13)16(15)17/h5-8,12,15-16H,4,9-11,17H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
2-N-methyl-2-N-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine is sourced from PubChem (CID 43295683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).