N-[(E)-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]amino]-N-methylmethanamine

C13H22N2 — CID 11264232

IUPACN-[(E)-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]amino]-N-methylmethanamine
SMILESCN(C)/N=C1/C=C2CCCC[C@@]2(C)CC1
InChIInChI=1S/C13H22N2/c1-13-8-5-4-6-11(13)10-12(7-9-13)14-15(2)3/h10H,4-9H2,1-3H3/b14-12+/t13-/m0/s1
InChIKeyNIRXBTHOGKELNL-REQDGWNSSA-N
MW206.33 g/mol
LogP3.20
Rot. Bonds1

About N-[(E)-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]amino]-N-methylmethanamine

N-[(E)-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]amino]-N-methylmethanamine (PubChem CID 11264232) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[(E)-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]amino]-N-methylmethanamine
PubChem CID11264232
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[(E)-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]amino]-N-methylmethanamine
SMILESCN(C)/N=C1/C=C2CCCC[C@@]2(C)CC1
InChIInChI=1S/C13H22N2/c1-13-8-5-4-6-11(13)10-12(7-9-13)14-15(2)3/h10H,4-9H2,1-3H3/b14-12+/t13-/m0/s1
InChIKeyNIRXBTHOGKELNL-REQDGWNSSA-N
XLogP3.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 7000123
(E)-N-[(E)-(4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene)amino]-3-methyl-1,3-benzothiazol-2-imine
CID 5466196
lithium (4aS)-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-olate
CID 23673942
(7aS)-7a-methyl-4,5,6,7-tetrahydro-1H-inden-2-one
CID 22216641
8a-methyl-1,4,5,6,7,8-hexahydroazulen-2-one
CID 577910
(3Z)-3-(dimethylhydrazinylidene)-17-ethynyl-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 5385942
(4aR)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 130741530
N-cyclohexyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-amine
CID 134905769
(4aR)-4a-methyl-1,3,4,5,6,7-hexahydronaphthalen-2-one
CID 102096032
N,N-dimethylmethanamine;5-methylbicyclo[3.1.0]hex-1(6)-ene
CID 175485218
8a-methyl-2,2a,3,5,6,7,8,8b-octahydro-1H-cyclobuta[a]naphthalene
CID 143187513
4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 22950908

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]amino]-N-methylmethanamine (CID 11264232) is N-[(E)-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]amino]-N-methylmethanamine is CN(C)/N=C1/C=C2CCCC[C@@]2(C)CC1.
What is the InChIKey of N-[(E)-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]amino]-N-methylmethanamine?
The InChIKey is NIRXBTHOGKELNL-REQDGWNSSA-N. The full InChI is InChI=1S/C13H22N2/c1-13-8-5-4-6-11(13)10-12(7-9-13)14-15(2)3/h10H,4-9H2,1-3H3/b14-12+/t13-/m0/s1.
What are the key properties of N-[(E)-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]amino]-N-methylmethanamine?
N-[(E)-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]amino]-N-methylmethanamine has a molecular weight of 206.33 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 11264232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).