2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine

C18H31N3 — CID 102992408

IUPAC2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCCN(CCCN(C)C)C1CCc2ccccc2C1NC
InChIInChI=1S/C18H31N3/c1-5-21(14-8-13-20(3)4)17-12-11-15-9-6-7-10-16(15)18(17)19-2/h6-7,9-10,17-19H,5,8,11-14H2,1-4H3
InChIKeyDRNGNVKJLKCPRZ-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.54
Rot. Bonds7

About 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine

2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine (PubChem CID 102992408) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
PubChem CID102992408
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCCN(CCCN(C)C)C1CCc2ccccc2C1NC
InChIInChI=1S/C18H31N3/c1-5-21(14-8-13-20(3)4)17-12-11-15-9-6-7-10-16(15)18(17)19-2/h6-7,9-10,17-19H,5,8,11-14H2,1-4H3
InChIKeyDRNGNVKJLKCPRZ-UHFFFAOYSA-N
XLogP2.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine with MolForge

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Related Compounds

6-N-(2-ethoxyethyl)-6-N-ethyl-5-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
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CID 102998669
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 63955358
2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 82948042
5-N-ethyl-6-N,6-N-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63466737
2-N-ethyl-2-N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 61447898
1-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19379897
6-N-ethyl-6-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 43268680
(1R,2R)-1-N,2-N,2-N-trimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 14327151
N-methyl-2-pentylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107758491
2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113473884
N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine (CID 102992408) is 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine is CCN(CCCN(C)C)C1CCc2ccccc2C1NC.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The InChIKey is DRNGNVKJLKCPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-21(14-8-13-20(3)4)17-12-11-15-9-6-7-10-16(15)18(17)19-2/h6-7,9-10,17-19H,5,8,11-14H2,1-4H3.
What are the key properties of 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine is sourced from PubChem (CID 102992408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).