N,N-dimethyl-4-(1,4,7,10-tetrazacyclododec-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

C20H35N5 — CID 140583940

IUPACN,N-dimethyl-4-(1,4,7,10-tetrazacyclododec-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)C1Cc2ccccc2C(N2CCNCCNCCNCC2)C1
InChIInChI=1S/C20H35N5/c1-24(2)18-15-17-5-3-4-6-19(17)20(16-18)25-13-11-22-9-7-21-8-10-23-12-14-25/h3-6,18,20-23H,7-16H2,1-2H3
InChIKeyLVHUPTGYYDVQCM-UHFFFAOYSA-N
MW345.54 g/mol
LogP0.69
Rot. Bonds2

About N,N-dimethyl-4-(1,4,7,10-tetrazacyclododec-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

N,N-dimethyl-4-(1,4,7,10-tetrazacyclododec-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 140583940) has the molecular formula C20H35N5 and a molecular weight of 345.54 g/mol. Its IUPAC name is N,N-dimethyl-4-(1,4,7,10-tetrazacyclododec-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(1,4,7,10-tetrazacyclododec-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID140583940
Molecular FormulaC20H35N5
Molecular Weight345.54 g/mol
Exact Mass345.29
IUPAC NameN,N-dimethyl-4-(1,4,7,10-tetrazacyclododec-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)C1Cc2ccccc2C(N2CCNCCNCCNCC2)C1
InChIInChI=1S/C20H35N5/c1-24(2)18-15-17-5-3-4-6-19(17)20(16-18)25-13-11-22-9-7-21-8-10-23-12-14-25/h3-6,18,20-23H,7-16H2,1-2H3
InChIKeyLVHUPTGYYDVQCM-UHFFFAOYSA-N
XLogP0.69
TPSA42.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.54
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-4-(1,4,7,10-tetrazacyclododec-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine with MolForge

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Related Compounds

1-[(1S)-2,3-dihydro-1H-inden-1-yl]piperazine
CID 30634298
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316741
1-(2,3-dihydro-1H-inden-2-yl)piperazine
CID 22648168
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylacetamide
CID 14107038
1-[(5R)-1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
CID 827289
1-(1-amino-2,3-dihydro-1H-inden-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63164297
(2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729234
N,N-dimethyl-4-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 42601568
1-(2,3-dihydro-1H-inden-2-yl)piperazine;dihydrochloride
CID 50944348
(2R,11bS)-2-[methyl(methylsulfamoyl)amino]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 13217504
4-(3-chloro-4-methylphenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 42601731
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine
CID 3055979

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1,4,7,10-tetrazacyclododec-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N,N-dimethyl-4-(1,4,7,10-tetrazacyclododec-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 140583940) is N,N-dimethyl-4-(1,4,7,10-tetrazacyclododec-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N,N-dimethyl-4-(1,4,7,10-tetrazacyclododec-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N,N-dimethyl-4-(1,4,7,10-tetrazacyclododec-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is CN(C)C1Cc2ccccc2C(N2CCNCCNCCNCC2)C1.
What is the InChIKey of N,N-dimethyl-4-(1,4,7,10-tetrazacyclododec-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is LVHUPTGYYDVQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5/c1-24(2)18-15-17-5-3-4-6-19(17)20(16-18)25-13-11-22-9-7-21-8-10-23-12-14-25/h3-6,18,20-23H,7-16H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(1,4,7,10-tetrazacyclododec-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N,N-dimethyl-4-(1,4,7,10-tetrazacyclododec-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 345.54 g/mol, XLogP of 0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1,4,7,10-tetrazacyclododec-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 140583940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).