3-N,3-N-diethyl-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-2,3-diamine

C19H32N2 — CID 79046794

IUPAC3-N,3-N-diethyl-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-2,3-diamine
SMILESCCN(CC)C(C)(C)C(N)CC1CCCc2ccccc21
InChIInChI=1S/C19H32N2/c1-5-21(6-2)19(3,4)18(20)14-16-12-9-11-15-10-7-8-13-17(15)16/h7-8,10,13,16,18H,5-6,9,11-12,14,20H2,1-4H3
InChIKeyKDMHIHHFKIKYSI-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.94
Rot. Bonds6

About 3-N,3-N-diethyl-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-2,3-diamine

3-N,3-N-diethyl-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-2,3-diamine (PubChem CID 79046794) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 3-N,3-N-diethyl-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-2,3-diamine
PubChem CID79046794
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name3-N,3-N-diethyl-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-2,3-diamine
SMILESCCN(CC)C(C)(C)C(N)CC1CCCc2ccccc21
InChIInChI=1S/C19H32N2/c1-5-21(6-2)19(3,4)18(20)14-16-12-9-11-15-10-7-8-13-17(15)16/h7-8,10,13,16,18H,5-6,9,11-12,14,20H2,1-4H3
InChIKeyKDMHIHHFKIKYSI-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-N,3-N-diethyl-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-2,3-diamine with MolForge

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
CID 104770463
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79054173
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 79059857
1-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 63772832
1-(2-methylcyclopropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65420172
N,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine
CID 115812436
3-ethoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 116713603
[3-methoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-yl]hydrazine
CID 105245335
N,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine
CID 105244036
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-ol
CID 63902035

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-2,3-diamine?
The IUPAC name of 3-N,3-N-diethyl-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-2,3-diamine (CID 79046794) is 3-N,3-N-diethyl-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-2,3-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-2,3-diamine?
The canonical SMILES for 3-N,3-N-diethyl-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-2,3-diamine is CCN(CC)C(C)(C)C(N)CC1CCCc2ccccc21.
What is the InChIKey of 3-N,3-N-diethyl-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-2,3-diamine?
The InChIKey is KDMHIHHFKIKYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-21(6-2)19(3,4)18(20)14-16-12-9-11-15-10-7-8-13-17(15)16/h7-8,10,13,16,18H,5-6,9,11-12,14,20H2,1-4H3.
What are the key properties of 3-N,3-N-diethyl-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-2,3-diamine?
3-N,3-N-diethyl-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-2,3-diamine has a molecular weight of 288.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-2,3-diamine is sourced from PubChem (CID 79046794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).