N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine

C13H20N2 — CID 116954289

IUPACN,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
SMILESCNC(NC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H20N2/c1-14-13(15-2)12-8-7-10-5-3-4-6-11(10)9-12/h7-9,13-15H,3-6H2,1-2H3
InChIKeyJLDOUGMQKLVYQP-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.00
Rot. Bonds3

About N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine

N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine (PubChem CID 116954289) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
PubChem CID116954289
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
SMILESCNC(NC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H20N2/c1-14-13(15-2)12-8-7-10-5-3-4-6-11(10)9-12/h7-9,13-15H,3-6H2,1-2H3
InChIKeyJLDOUGMQKLVYQP-UHFFFAOYSA-N
XLogP2.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116961881
1-(methylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 116859383
N-methyl-2-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-amine
CID 82985313
2-(methylamino)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 116961596
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43480640
N-methyl-2-methylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 104518447
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylpentan-1-amine
CID 43485099
N-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 116954775
N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116949253
N-methyl-1-(5-methylfuran-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43480600
4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 116952908

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine?
The IUPAC name of N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine (CID 116954289) is N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine.
What is the SMILES notation for N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine?
The canonical SMILES for N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine is CNC(NC)c1ccc2c(c1)CCCC2.
What is the InChIKey of N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine?
The InChIKey is JLDOUGMQKLVYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-14-13(15-2)12-8-7-10-5-3-4-6-11(10)9-12/h7-9,13-15H,3-6H2,1-2H3.
What are the key properties of N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine?
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine has a molecular weight of 204.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine is sourced from PubChem (CID 116954289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).